4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide

C17H25N3O2 — CID 110822348

IUPAC4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-13(2)18-17(22)20-10-8-15(9-11-20)19-16(21)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyXFXDERVCVBZDGP-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.93
Rot. Bonds4

About 4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide

4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 110822348) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID110822348
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-13(2)18-17(22)20-10-8-15(9-11-20)19-16(21)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyXFXDERVCVBZDGP-UHFFFAOYSA-N
XLogP1.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822388
N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822347
N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 110820721
4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822362
4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 110822375
N-cyclopropyl-2-phenylacetamide
CID 5175687
2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 108564353
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
[4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl] N-propan-2-ylcarbamate
CID 50906633
4-oxo-N-[1-(2-phenylacetyl)piperidin-4-yl]pentanamide
CID 108558031
4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822394
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide (CID 110822348) is 4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC(NC(=O)Cc2ccccc2)CC1.
What is the InChIKey of 4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is XFXDERVCVBZDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(2)18-17(22)20-10-8-15(9-11-20)19-16(21)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide?
4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 110822348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).