(2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide

C16H21ClN2O — CID 120625253

IUPAC(2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NC2CCc3c(Cl)cccc32)CCN1
InChIInChI=1S/C16H21ClN2O/c1-10-9-11(7-8-18-10)16(20)19-15-6-5-12-13(15)3-2-4-14(12)17/h2-4,10-11,15,18H,5-9H2,1H3,(H,19,20)/t10-,11-,15?/m0/s1
InChIKeyMLIRFUIUFMNWDL-AKABHXMESA-N
MW292.81 g/mol
LogP2.83
Rot. Bonds2

About (2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide

(2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide (PubChem CID 120625253) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is (2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide
PubChem CID120625253
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name(2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NC2CCc3c(Cl)cccc32)CCN1
InChIInChI=1S/C16H21ClN2O/c1-10-9-11(7-8-18-10)16(20)19-15-6-5-12-13(15)3-2-4-14(12)17/h2-4,10-11,15,18H,5-9H2,1H3,(H,19,20)/t10-,11-,15?/m0/s1
InChIKeyMLIRFUIUFMNWDL-AKABHXMESA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-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

[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
CID 129403037
(2S,4S)-N-(8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpiperidine-4-carboxamide
CID 120641361
N-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide
CID 106740789
(2S,4S)-N-[2-(2,6-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625296
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119746685
(2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 120640719
(2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120640514
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119746677
2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
CID 119746692
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623965
(2S,4S)-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120639152

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide (CID 120625253) is (2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NC2CCc3c(Cl)cccc32)CCN1.
What is the InChIKey of (2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide?
The InChIKey is MLIRFUIUFMNWDL-AKABHXMESA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-10-9-11(7-8-18-10)16(20)19-15-6-5-12-13(15)3-2-4-14(12)17/h2-4,10-11,15,18H,5-9H2,1H3,(H,19,20)/t10-,11-,15?/m0/s1.
What are the key properties of (2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide has a molecular weight of 292.81 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120625253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).