N-[(3S)-1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidin-3-yl]acetamide

C19H29N3O2 — CID 95290096

IUPACN-[(3S)-1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidin-3-yl]acetamide
SMILESCCN(c1ccc(C(=O)N2CCC[C@H](NC(C)=O)C2)cc1)C(C)C
InChIInChI=1S/C19H29N3O2/c1-5-22(14(2)3)18-10-8-16(9-11-18)19(24)21-12-6-7-17(13-21)20-15(4)23/h8-11,14,17H,5-7,12-13H2,1-4H3,(H,20,23)/t17-/m0/s1
InChIKeyHCSDHJPYRPRCEB-KRWDZBQOSA-N
MW331.46 g/mol
LogP2.66
Rot. Bonds5

About N-[(3S)-1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidin-3-yl]acetamide

N-[(3S)-1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidin-3-yl]acetamide (PubChem CID 95290096) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[(3S)-1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidin-3-yl]acetamide
PubChem CID95290096
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[(3S)-1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidin-3-yl]acetamide
SMILESCCN(c1ccc(C(=O)N2CCC[C@H](NC(C)=O)C2)cc1)C(C)C
InChIInChI=1S/C19H29N3O2/c1-5-22(14(2)3)18-10-8-16(9-11-18)19(24)21-12-6-7-17(13-21)20-15(4)23/h8-11,14,17H,5-7,12-13H2,1-4H3,(H,20,23)/t17-/m0/s1
InChIKeyHCSDHJPYRPRCEB-KRWDZBQOSA-N
XLogP2.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide
CID 126424676
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997
[4-[ethyl(propyl)amino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119487943
6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 126446174
[4-[ethyl(propan-2-yl)amino]phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51128361
N-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide
CID 52507139
N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-3-yl]acetamide
CID 60947810
[4-(diethylamino)phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224194
N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide
CID 78948823
1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea
CID 95315387
N-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119493599

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidin-3-yl]acetamide (CID 95290096) is N-[(3S)-1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidin-3-yl]acetamide is CCN(c1ccc(C(=O)N2CCC[C@H](NC(C)=O)C2)cc1)C(C)C.
What is the InChIKey of N-[(3S)-1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidin-3-yl]acetamide?
The InChIKey is HCSDHJPYRPRCEB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-5-22(14(2)3)18-10-8-16(9-11-18)19(24)21-12-6-7-17(13-21)20-15(4)23/h8-11,14,17H,5-7,12-13H2,1-4H3,(H,20,23)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidin-3-yl]acetamide?
N-[(3S)-1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidin-3-yl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 95290096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).