N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C20H28ClN3O — CID 56905288

IUPACN-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN1CC2(CCNCC2)CC1C(=O)N(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C20H28ClN3O/c1-23-14-20(8-10-22-11-9-20)12-18(23)19(25)24(17-6-7-17)13-15-2-4-16(21)5-3-15/h2-5,17-18,22H,6-14H2,1H3
InChIKeyPNIYJOKZTPBDQI-UHFFFAOYSA-N
MW361.92 g/mol
LogP2.90
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56905288) has the molecular formula C20H28ClN3O and a molecular weight of 361.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56905288
Molecular FormulaC20H28ClN3O
Molecular Weight361.92 g/mol
Exact Mass361.19
IUPAC NameN-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN1CC2(CCNCC2)CC1C(=O)N(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C20H28ClN3O/c1-23-14-20(8-10-22-11-9-20)12-18(23)19(25)24(17-6-7-17)13-15-2-4-16(21)5-3-15/h2-5,17-18,22H,6-14H2,1H3
InChIKeyPNIYJOKZTPBDQI-UHFFFAOYSA-N
XLogP2.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-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

N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154894460
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154893367
(3R)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95894798
(3R)-N,2-dimethyl-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95874258
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56897862
(3R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95871864
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide
CID 107067678
(2R)-N-[(4-chlorophenyl)methyl]-N-cyclopropylpiperidine-2-carboxamide
CID 104913309
(3R)-N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95896718
N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56896932
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56882007
(3R)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95891913

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56905288) is N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CN1CC2(CCNCC2)CC1C(=O)N(Cc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is PNIYJOKZTPBDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O/c1-23-14-20(8-10-22-11-9-20)12-18(23)19(25)24(17-6-7-17)13-15-2-4-16(21)5-3-15/h2-5,17-18,22H,6-14H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 361.92 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56905288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).