1-(4-chlorobenzoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide

C18H24ClN3O3 — CID 8751751

IUPAC1-(4-chlorobenzoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCCNC(=O)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN3O3/c1-3-20-16(23)12(2)21-17(24)13-8-10-22(11-9-13)18(25)14-4-6-15(19)7-5-14/h4-7,12-13H,3,8-11H2,1-2H3,(H,20,23)(H,21,24)/t12-/m1/s1
InChIKeyHJPOWUUQBPYSGC-GFCCVEGCSA-N
MW365.86 g/mol
LogP1.83
Rot. Bonds5

About 1-(4-chlorobenzoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 8751751) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID8751751
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name1-(4-chlorobenzoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCCNC(=O)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN3O3/c1-3-20-16(23)12(2)21-17(24)13-8-10-22(11-9-13)18(25)14-4-6-15(19)7-5-14/h4-7,12-13H,3,8-11H2,1-2H3,(H,20,23)(H,21,24)/t12-/m1/s1
InChIKeyHJPOWUUQBPYSGC-GFCCVEGCSA-N
XLogP1.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobenzoyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 24683038
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
1-(4-chlorobenzoyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 9165314
(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid
CID 119238348
1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 60963126
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-ethylacetamide
CID 46024727
N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119279
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 110350917
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 46655706
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 8751751) is 1-(4-chlorobenzoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide is CCNC(=O)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is HJPOWUUQBPYSGC-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-3-20-16(23)12(2)21-17(24)13-8-10-22(11-9-13)18(25)14-4-6-15(19)7-5-14/h4-7,12-13H,3,8-11H2,1-2H3,(H,20,23)(H,21,24)/t12-/m1/s1.
What are the key properties of 1-(4-chlorobenzoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 8751751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).