N-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide

C20H27N3O3 — CID 52518463

IUPACN-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CCCC[C@H]2C(=O)N2CCCC2)c1
InChIInChI=1S/C20H27N3O3/c1-15(24)16-7-6-8-17(13-16)21-19(25)14-23-12-3-2-9-18(23)20(26)22-10-4-5-11-22/h6-8,13,18H,2-5,9-12,14H2,1H3,(H,21,25)/t18-/m0/s1
InChIKeyOQZQVLKFYAHAIJ-SFHVURJKSA-N
MW357.45 g/mol
LogP2.30
Rot. Bonds5

About N-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide

N-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide (PubChem CID 52518463) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
PubChem CID52518463
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CCCC[C@H]2C(=O)N2CCCC2)c1
InChIInChI=1S/C20H27N3O3/c1-15(24)16-7-6-8-17(13-16)21-19(25)14-23-12-3-2-9-18(23)20(26)22-10-4-5-11-22/h6-8,13,18H,2-5,9-12,14H2,1H3,(H,21,25)/t18-/m0/s1
InChIKeyOQZQVLKFYAHAIJ-SFHVURJKSA-N
XLogP2.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-(3-methylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 40987938
N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942443
N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 42890543
1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908871
N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 24709451
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
N-(3-acetylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 22197270
N-(3-acetylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110861048
(2S)-1-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910364
1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442043
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
N-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide
CID 79536734

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide (CID 52518463) is N-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide is CC(=O)c1cccc(NC(=O)CN2CCCC[C@H]2C(=O)N2CCCC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
The InChIKey is OQZQVLKFYAHAIJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15(24)16-7-6-8-17(13-16)21-19(25)14-23-12-3-2-9-18(23)20(26)22-10-4-5-11-22/h6-8,13,18H,2-5,9-12,14H2,1H3,(H,21,25)/t18-/m0/s1.
What are the key properties of N-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
N-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide has a molecular weight of 357.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 52518463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).