2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide

C18H27N3O2 — CID 75461568

IUPAC2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide
SMILESCC(=O)NC1CCCN(C(C(=O)NC(C)C)c2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-13(2)19-18(23)17(15-8-5-4-6-9-15)21-11-7-10-16(12-21)20-14(3)22/h4-6,8-9,13,16-17H,7,10-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyRGOYSIKHYUYNRQ-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.85
Rot. Bonds5

About 2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide

2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide (PubChem CID 75461568) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide
PubChem CID75461568
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide
SMILESCC(=O)NC1CCCN(C(C(=O)NC(C)C)c2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-13(2)19-18(23)17(15-8-5-4-6-9-15)21-11-7-10-16(12-21)20-14(3)22/h4-6,8-9,13,16-17H,7,10-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyRGOYSIKHYUYNRQ-UHFFFAOYSA-N
XLogP1.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid
CID 136550153
N-cyclopropyl-2-[3-(methylamino)piperidin-1-yl]-2-phenylacetamide
CID 119918563
(2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide
CID 97312757
2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 87014527
(2R)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-phenyl-N-propan-2-ylacetamide
CID 100871736
2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 119918296
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
N-(methylcarbamoyl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
CID 51167810
2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride
CID 119920377
N-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide
CID 97228273
(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
CID 9033825

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide (CID 75461568) is 2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide is CC(=O)NC1CCCN(C(C(=O)NC(C)C)c2ccccc2)C1.
What is the InChIKey of 2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide?
The InChIKey is RGOYSIKHYUYNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)19-18(23)17(15-8-5-4-6-9-15)21-11-7-10-16(12-21)20-14(3)22/h4-6,8-9,13,16-17H,7,10-12H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide?
2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide has a molecular weight of 317.43 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 75461568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).