N-(3-chlorophenyl)-4-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]piperidine-1-carboxamide

C23H35ClN4O2 — CID 52998732

IUPACN-(3-chlorophenyl)-4-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]piperidine-1-carboxamide
SMILESCC1CCCN(CCCNC(=O)CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C23H35ClN4O2/c1-18-5-3-11-27(17-18)12-4-10-25-22(29)15-19-8-13-28(14-9-19)23(30)26-21-7-2-6-20(24)16-21/h2,6-7,16,18-19H,3-5,8-15,17H2,1H3,(H,25,29)(H,26,30)
InChIKeyQBYQZICXVWKAIH-UHFFFAOYSA-N
MW435.01 g/mol
LogP4.21
Rot. Bonds7

About N-(3-chlorophenyl)-4-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]piperidine-1-carboxamide

N-(3-chlorophenyl)-4-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]piperidine-1-carboxamide (PubChem CID 52998732) has the molecular formula C23H35ClN4O2 and a molecular weight of 435.01 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]piperidine-1-carboxamide
PubChem CID52998732
Molecular FormulaC23H35ClN4O2
Molecular Weight435.01 g/mol
Exact Mass434.24
IUPAC NameN-(3-chlorophenyl)-4-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]piperidine-1-carboxamide
SMILESCC1CCCN(CCCNC(=O)CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C23H35ClN4O2/c1-18-5-3-11-27(17-18)12-4-10-25-22(29)15-19-8-13-28(14-9-19)23(30)26-21-7-2-6-20(24)16-21/h2,6-7,16,18-19H,3-5,8-15,17H2,1H3,(H,25,29)(H,26,30)
InChIKeyQBYQZICXVWKAIH-UHFFFAOYSA-N
XLogP4.21
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.01
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-4-[2-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 93056113
N-(3-chlorophenyl)-4-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 93056112
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090
N-(3-chlorophenyl)-4-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidine-1-carboxamide
CID 93071875
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-(3-chlorophenyl)-4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 52998743
N-(3-chlorophenyl)-4-[2-[2-(2,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 52998745
4-[2-[(4-butoxyphenyl)methylamino]-2-oxoethyl]-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 52998749
2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
CID 94119841
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689912
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]piperidine-1-carboxamide (CID 52998732) is N-(3-chlorophenyl)-4-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]piperidine-1-carboxamide is CC1CCCN(CCCNC(=O)CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)C1.
What is the InChIKey of N-(3-chlorophenyl)-4-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]piperidine-1-carboxamide?
The InChIKey is QBYQZICXVWKAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35ClN4O2/c1-18-5-3-11-27(17-18)12-4-10-25-22(29)15-19-8-13-28(14-9-19)23(30)26-21-7-2-6-20(24)16-21/h2,6-7,16,18-19H,3-5,8-15,17H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-(3-chlorophenyl)-4-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]piperidine-1-carboxamide?
N-(3-chlorophenyl)-4-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]piperidine-1-carboxamide has a molecular weight of 435.01 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]piperidine-1-carboxamide is sourced from PubChem (CID 52998732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).