2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(naphthalene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

C29H32N4O3 — CID 142585034

IUPAC2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(naphthalene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1cc(N2CCC3(CCN(C(=O)c4ccc5ccccc5c4)CC3)C2=O)ccc1/C(=C/N)CN
InChIInChI=1S/C29H32N4O3/c1-36-26-17-24(8-9-25(26)23(18-30)19-31)33-15-12-29(28(33)35)10-13-32(14-11-29)27(34)22-7-6-20-4-2-3-5-21(20)16-22/h2-9,16-18H,10-15,19,30-31H2,1H3/b23-18+
InChIKeyQKRMJGGMJMKINB-PTGBLXJZSA-N
MW484.60 g/mol
LogP3.77
Rot. Bonds5

About 2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(naphthalene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(naphthalene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 142585034) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(naphthalene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(naphthalene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID142585034
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(naphthalene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1cc(N2CCC3(CCN(C(=O)c4ccc5ccccc5c4)CC3)C2=O)ccc1/C(=C/N)CN
InChIInChI=1S/C29H32N4O3/c1-36-26-17-24(8-9-25(26)23(18-30)19-31)33-15-12-29(28(33)35)10-13-32(14-11-29)27(34)22-7-6-20-4-2-3-5-21(20)16-22/h2-9,16-18H,10-15,19,30-31H2,1H3/b23-18+
InChIKeyQKRMJGGMJMKINB-PTGBLXJZSA-N
XLogP3.77
TPSA101.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(naphthalene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-[4-(methylsulfanylmethyl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one
CID 142585121
2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 142585153
2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(3-fluoro-4-methoxyphenyl)sulfanyl-2,8-diazaspiro[4.5]decan-1-one
CID 167231335
2-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(4-ethylbenzoyl)-2,8-diazaspiro[4.5]decan-1-one
CID 142585054
2-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(4-morpholin-4-ylbenzoyl)-2,8-diazaspiro[4.5]decan-1-one
CID 167231921
2-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 142585106
2-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(2,4,6-trimethoxybenzoyl)-2,8-diazaspiro[4.5]decan-1-one
CID 167231911
2-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-8-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one
CID 167231280
2-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-8-[4-[4-(2-phenylmethoxyethyl)piperazin-1-yl]benzoyl]-2,8-diazaspiro[4.5]decan-1-one
CID 167231208
2-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-8-[4-[4-(cyclopentylmethyl)piperazin-1-yl]benzoyl]-2,8-diazaspiro[4.5]decan-1-one
CID 167231951
[(Z)-3-amino-2-[4-[8-[4-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]benzoyl]-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]-2-methoxyphenyl]prop-2-enylidene]azanium
CID 142585046
2-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-8-[4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]benzoyl]-2,8-diazaspiro[4.5]decan-1-one
CID 167231588

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(naphthalene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(naphthalene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one (CID 142585034) is 2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(naphthalene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(naphthalene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(naphthalene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is COc1cc(N2CCC3(CCN(C(=O)c4ccc5ccccc5c4)CC3)C2=O)ccc1/C(=C/N)CN.
What is the InChIKey of 2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(naphthalene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is QKRMJGGMJMKINB-PTGBLXJZSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-36-26-17-24(8-9-25(26)23(18-30)19-31)33-15-12-29(28(33)35)10-13-32(14-11-29)27(34)22-7-6-20-4-2-3-5-21(20)16-22/h2-9,16-18H,10-15,19,30-31H2,1H3/b23-18+.
What are the key properties of 2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(naphthalene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(naphthalene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 484.60 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(naphthalene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 142585034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).