(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide

C15H19ClN2O3 — CID 94171693

IUPAC(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
SMILESCCONC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN2O3/c1-2-21-17-14(19)12-4-3-9-18(10-12)15(20)11-5-7-13(16)8-6-11/h5-8,12H,2-4,9-10H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyRRLAIBWYPYSGCY-LBPRGKRZSA-N
MW310.78 g/mol
LogP2.26
Rot. Bonds4

About (3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide

(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide (PubChem CID 94171693) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is (3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
PubChem CID94171693
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
SMILESCCONC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN2O3/c1-2-21-17-14(19)12-4-3-9-18(10-12)15(20)11-5-7-13(16)8-6-11/h5-8,12H,2-4,9-10H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyRRLAIBWYPYSGCY-LBPRGKRZSA-N
XLogP2.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119627004
1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide
CID 136581604
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900
ethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266782
1-(4-chlorobenzoyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 24683038
cyanomethyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 51455141
ethyl 1-[1-(4-chlorobenzoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 17119264
N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 46170994
N-[1-(aminomethyl)cyclopentyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119565789

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide (CID 94171693) is (3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide is CCONC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide?
The InChIKey is RRLAIBWYPYSGCY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-21-17-14(19)12-4-3-9-18(10-12)15(20)11-5-7-13(16)8-6-11/h5-8,12H,2-4,9-10H2,1H3,(H,17,19)/t12-/m0/s1.
What are the key properties of (3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide?
(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide has a molecular weight of 310.78 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide is sourced from PubChem (CID 94171693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).