(5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C19H32N4O2 — CID 97195518

IUPAC(5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCN(C(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)CC1
InChIInChI=1S/C19H32N4O2/c1-20-10-12-21(13-11-20)18(25)23-9-7-19(15-23)6-3-8-22(17(19)24)14-16-4-2-5-16/h16H,2-15H2,1H3/t19-/m0/s1
InChIKeyNEEWYQORHJGHIA-IBGZPJMESA-N
MW348.49 g/mol
LogP1.47
Rot. Bonds2

About (5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97195518) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97195518
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name(5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCN(C(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)CC1
InChIInChI=1S/C19H32N4O2/c1-20-10-12-21(13-11-20)18(25)23-9-7-19(15-23)6-3-8-22(17(19)24)14-16-4-2-5-16/h16H,2-15H2,1H3/t19-/m0/s1
InChIKeyNEEWYQORHJGHIA-IBGZPJMESA-N
XLogP1.47
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-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

(5S)-7-(cyclobutylmethyl)-2-(3-hydroxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127422
(5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 25313167
7-cyclohexyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72865312
(5R)-7-(cyclobutylmethyl)-2-(1-methyl-6-oxopyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97122026
ethyl 2-[[(5R)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]amino]acetate
CID 25278147
7-(cyclobutylmethyl)-2-[2-[2-methoxyethyl(methyl)amino]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72939680
(5S)-2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97110657
N-[2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]acetamide
CID 26405192
(5R)-7-(cyclobutylmethyl)-2-[2-(2-oxoazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97137057
(5R)-7-(cyclobutylmethyl)-2-[3-(1-methylpyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26404662
5-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methylpyrrole-3-carbonitrile
CID 72870546
7-(cyclopropylmethyl)-2-(3-ethoxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922914

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97195518) is (5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CN1CCN(C(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)CC1.
What is the InChIKey of (5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is NEEWYQORHJGHIA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H32N4O2/c1-20-10-12-21(13-11-20)18(25)23-9-7-19(15-23)6-3-8-22(17(19)24)14-16-4-2-5-16/h16H,2-15H2,1H3/t19-/m0/s1.
What are the key properties of (5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 348.49 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97195518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).