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

C23H35ClN4O2 — CID 93056113

IUPACN-(3-chlorophenyl)-4-[2-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide
SMILESC[C@H]1CCCCN1CCCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C23H35ClN4O2/c1-18-6-2-3-12-27(18)13-5-11-25-22(29)16-19-9-14-28(15-10-19)23(30)26-21-8-4-7-20(24)17-21/h4,7-8,17-19H,2-3,5-6,9-16H2,1H3,(H,25,29)(H,26,30)/t18-/m0/s1
InChIKeyUQEBHQFFAGSMHT-SFHVURJKSA-N
MW435.01 g/mol
LogP4.35
Rot. Bonds7

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

N-(3-chlorophenyl)-4-[2-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide (PubChem CID 93056113) has the molecular formula C23H35ClN4O2 and a molecular weight of 435.01 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[2-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[2-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide
PubChem CID93056113
Molecular FormulaC23H35ClN4O2
Molecular Weight435.01 g/mol
Exact Mass434.24
IUPAC NameN-(3-chlorophenyl)-4-[2-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide
SMILESC[C@H]1CCCCN1CCCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C23H35ClN4O2/c1-18-6-2-3-12-27(18)13-5-11-25-22(29)16-19-9-14-28(15-10-19)23(30)26-21-8-4-7-20(24)17-21/h4,7-8,17-19H,2-3,5-6,9-16H2,1H3,(H,25,29)(H,26,30)/t18-/m0/s1
InChIKeyUQEBHQFFAGSMHT-SFHVURJKSA-N
XLogP4.35
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 ≤ 54.35
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-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 93056112
N-(3-chlorophenyl)-4-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 52998732
2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide
CID 92866855
2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 46295060
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
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 50767993
N-(3-chlorophenyl)-4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 52998743
3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 55725020
N-(3-chlorophenyl)-4-[2-[2-(2,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 52998745
N-(3-chlorophenyl)-5-[3-[2-[(2S)-2-methylpiperidin-1-yl]ethylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide
CID 92875905
1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 51244180

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[2-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[2-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide (CID 93056113) is N-(3-chlorophenyl)-4-[2-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[2-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[2-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide is C[C@H]1CCCCN1CCCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-[2-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide?
The InChIKey is UQEBHQFFAGSMHT-SFHVURJKSA-N. The full InChI is InChI=1S/C23H35ClN4O2/c1-18-6-2-3-12-27(18)13-5-11-25-22(29)16-19-9-14-28(15-10-19)23(30)26-21-8-4-7-20(24)17-21/h4,7-8,17-19H,2-3,5-6,9-16H2,1H3,(H,25,29)(H,26,30)/t18-/m0/s1.
What are the key properties of N-(3-chlorophenyl)-4-[2-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide?
N-(3-chlorophenyl)-4-[2-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide has a molecular weight of 435.01 g/mol, XLogP of 4.35, 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-[(2S)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide is sourced from PubChem (CID 93056113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).