2-chloro-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxamide

C19H27ClN4O2 — CID 139425087

IUPAC2-chloro-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxamide
SMILESCCC1NC(c2ccc3c(c2)CC[C@H]3NC(=O)C2CCNC(Cl)C2)NO1
InChIInChI=1S/C19H27ClN4O2/c1-2-17-23-18(24-26-17)12-3-5-14-11(9-12)4-6-15(14)22-19(25)13-7-8-21-16(20)10-13/h3,5,9,13,15-18,21,23-24H,2,4,6-8,10H2,1H3,(H,22,25)/t13?,15-,16?,17?,18?/m1/s1
InChIKeyOEVZIPQBMFPAOJ-CGQHATLRSA-N
MW378.90 g/mol
LogP2.21
Rot. Bonds4

About 2-chloro-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxamide

2-chloro-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxamide (PubChem CID 139425087) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxamide
PubChem CID139425087
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name2-chloro-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxamide
SMILESCCC1NC(c2ccc3c(c2)CC[C@H]3NC(=O)C2CCNC(Cl)C2)NO1
InChIInChI=1S/C19H27ClN4O2/c1-2-17-23-18(24-26-17)12-3-5-14-11(9-12)4-6-15(14)22-19(25)13-7-8-21-16(20)10-13/h3,5,9,13,15-18,21,23-24H,2,4,6-8,10H2,1H3,(H,22,25)/t13?,15-,16?,17?,18?/m1/s1
InChIKeyOEVZIPQBMFPAOJ-CGQHATLRSA-N
XLogP2.21
TPSA74.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]piperidine-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

N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperidine-4-carboxamide
CID 139425024
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,3,4-thiadiazolidine-2-carboxamide
CID 155296563
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide
CID 139425090
4-(hydroxymethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3-dihydro-1H-inden-1-yl]piperidine-2-carboxamide
CID 139425116
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-4-(1-hydroxyethyl)-1-azaspiro[5.8]tetradecane-2-carboxamide
CID 155296586
(2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide
CID 120625253
N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2-diazaspiro[5.9]pentadecane-5-carboxamide
CID 155296643
N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide
CID 94198795
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide;hydrochloride
CID 119301428
4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673094
1-ethyl-N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-oxopyridine-3-carboxamide
CID 155296577
(3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide
CID 94660919

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxamide (CID 139425087) is 2-chloro-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxamide is CCC1NC(c2ccc3c(c2)CC[C@H]3NC(=O)C2CCNC(Cl)C2)NO1.
What is the InChIKey of 2-chloro-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxamide?
The InChIKey is OEVZIPQBMFPAOJ-CGQHATLRSA-N. The full InChI is InChI=1S/C19H27ClN4O2/c1-2-17-23-18(24-26-17)12-3-5-14-11(9-12)4-6-15(14)22-19(25)13-7-8-21-16(20)10-13/h3,5,9,13,15-18,21,23-24H,2,4,6-8,10H2,1H3,(H,22,25)/t13?,15-,16?,17?,18?/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxamide?
2-chloro-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxamide has a molecular weight of 378.90 g/mol, XLogP of 2.21, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 139425087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).