1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide

C17H25N3O2 — CID 51074335

IUPAC1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
SMILESCC(CCc1ccccc1)NC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H25N3O2/c1-13(7-8-14-5-3-2-4-6-14)19-17(22)20-11-9-15(10-12-20)16(18)21/h2-6,13,15H,7-12H2,1H3,(H2,18,21)(H,19,22)
InChIKeyDMQLRMKLZNLFSE-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.91
Rot. Bonds5

About 1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide

1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide (PubChem CID 51074335) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
PubChem CID51074335
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
SMILESCC(CCc1ccccc1)NC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H25N3O2/c1-13(7-8-14-5-3-2-4-6-14)19-17(22)20-11-9-15(10-12-20)16(18)21/h2-6,13,15H,7-12H2,1H3,(H2,18,21)(H,19,22)
InChIKeyDMQLRMKLZNLFSE-UHFFFAOYSA-N
XLogP1.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 27534219
4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 86927572
1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide
CID 56797928
1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
CID 56798078
1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553
4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide
CID 125442891
1-[(2R)-2-cyano-4-phenylbutanoyl]piperidine-4-carboxamide
CID 124733844
1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide
CID 9443521
(3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide
CID 95579656
N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 47015071
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
4-hydroxy-N-(4-phenylbutan-2-yl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 122571241

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide (CID 51074335) is 1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide is CC(CCc1ccccc1)NC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide?
The InChIKey is DMQLRMKLZNLFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(7-8-14-5-3-2-4-6-14)19-17(22)20-11-9-15(10-12-20)16(18)21/h2-6,13,15H,7-12H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of 1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide?
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 51074335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).