4-[(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]naphthalene-1-carboxamide

C25H33N3O — CID 91403250

IUPAC4-[(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]naphthalene-1-carboxamide
SMILESNC(=O)c1ccc(CN2CCC3(CC2)CCN(C2CCC2)CC3)c2ccccc12
InChIInChI=1S/C25H33N3O/c26-24(29)23-9-8-19(21-6-1-2-7-22(21)23)18-27-14-10-25(11-15-27)12-16-28(17-13-25)20-4-3-5-20/h1-2,6-9,20H,3-5,10-18H2,(H2,26,29)
InChIKeyLFTXDVVKTAHPCX-UHFFFAOYSA-N
MW391.56 g/mol
LogP4.17
Rot. Bonds4

About 4-[(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]naphthalene-1-carboxamide

4-[(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]naphthalene-1-carboxamide (PubChem CID 91403250) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is 4-[(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-[(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]naphthalene-1-carboxamide
PubChem CID91403250
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC Name4-[(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]naphthalene-1-carboxamide
SMILESNC(=O)c1ccc(CN2CCC3(CC2)CCN(C2CCC2)CC3)c2ccccc12
InChIInChI=1S/C25H33N3O/c26-24(29)23-9-8-19(21-6-1-2-7-22(21)23)18-27-14-10-25(11-15-27)12-16-28(17-13-25)20-4-3-5-20/h1-2,6-9,20H,3-5,10-18H2,(H2,26,29)
InChIKeyLFTXDVVKTAHPCX-UHFFFAOYSA-N
XLogP4.17
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]naphthalene-1-carboxamide 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-cyclopentylpiperazin-1-yl)methyl]benzenecarbothioamide
CID 62368620
2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol
CID 82979925
2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide
CID 107408094
1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid
CID 90483361
2-[(1S,2R)-2-(4-cyclobutylpiperazin-1-yl)cyclopropyl]benzamide
CID 152629986
3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450333
5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol
CID 171541808
1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
CID 17366702
1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
CID 90483831
4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid
CID 2911508
1-[(2-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126554
1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid
CID 17369313

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]naphthalene-1-carboxamide?
The IUPAC name of 4-[(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]naphthalene-1-carboxamide (CID 91403250) is 4-[(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-[(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for 4-[(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]naphthalene-1-carboxamide is NC(=O)c1ccc(CN2CCC3(CC2)CCN(C2CCC2)CC3)c2ccccc12.
What is the InChIKey of 4-[(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]naphthalene-1-carboxamide?
The InChIKey is LFTXDVVKTAHPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c26-24(29)23-9-8-19(21-6-1-2-7-22(21)23)18-27-14-10-25(11-15-27)12-16-28(17-13-25)20-4-3-5-20/h1-2,6-9,20H,3-5,10-18H2,(H2,26,29).
What are the key properties of 4-[(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]naphthalene-1-carboxamide?
4-[(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]naphthalene-1-carboxamide has a molecular weight of 391.56 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclobutyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 91403250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).