(5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C20H28N2O — CID 25298850

IUPAC(5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ccccc1CN1CC[C@@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C20H28N2O/c1-16-5-2-3-6-18(16)14-21-12-10-20(15-21)9-4-11-22(19(20)23)13-17-7-8-17/h2-3,5-6,17H,4,7-15H2,1H3/t20-/m0/s1
InChIKeyDUXCJWLYHMZBFH-FQEVSTJZSA-N
MW312.46 g/mol
LogP3.22
Rot. Bonds4

About (5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 25298850) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is (5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID25298850
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name(5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ccccc1CN1CC[C@@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C20H28N2O/c1-16-5-2-3-6-18(16)14-21-12-10-20(15-21)9-4-11-22(19(20)23)13-17-7-8-17/h2-3,5-6,17H,4,7-15H2,1H3/t20-/m0/s1
InChIKeyDUXCJWLYHMZBFH-FQEVSTJZSA-N
XLogP3.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42510508
(5S)-2-[(2-amino-3-pyridinyl)methyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97141834
(5R)-7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97110619
(5R)-7-(cyclopropylmethyl)-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26318692
7-(cyclopropylmethyl)-2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 119058394
(5S)-2-[(2-chloro-4-fluorophenyl)methyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97145037
(5R)-7-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401866
7-(cyclohexylmethyl)-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45238508
(5R)-7-(cyclopropylmethyl)-2-[2-(2-methylphenoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97127379
(5S)-7-(cyclopropylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26407443
(5R)-7-(cyclopropylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26407445
(5R)-7-(cyclopropylmethyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26405993

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 25298850) is (5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is Cc1ccccc1CN1CC[C@@]2(CCCN(CC3CC3)C2=O)C1.
What is the InChIKey of (5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is DUXCJWLYHMZBFH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H28N2O/c1-16-5-2-3-6-18(16)14-21-12-10-20(15-21)9-4-11-22(19(20)23)13-17-7-8-17/h2-3,5-6,17H,4,7-15H2,1H3/t20-/m0/s1.
What are the key properties of (5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 312.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 25298850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).