1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide

C20H30N2O3 — CID 111471679

IUPAC1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)NCCC(O)c2ccccc2)C1
InChIInChI=1S/C20H30N2O3/c1-20(2,3)19(25)22-13-7-10-16(14-22)18(24)21-12-11-17(23)15-8-5-4-6-9-15/h4-6,8-9,16-17,23H,7,10-14H2,1-3H3,(H,21,24)
InChIKeyISXVLUAPKGEYKT-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.51
Rot. Bonds5

About 1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide

1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 111471679) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide
PubChem CID111471679
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)NCCC(O)c2ccccc2)C1
InChIInChI=1S/C20H30N2O3/c1-20(2,3)19(25)22-13-7-10-16(14-22)18(24)21-12-11-17(23)15-8-5-4-6-9-15/h4-6,8-9,16-17,23H,7,10-14H2,1-3H3,(H,21,24)
InChIKeyISXVLUAPKGEYKT-UHFFFAOYSA-N
XLogP2.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenyl-2-decanoylamino-3-morpholino-1-propanol
CID 3129
DL-threo-PDMP
CID 11957678
N-[(1R,2R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]decanamide
CID 6610216
(+/-)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachidonyl amine
CID 5283415
d-threo-PDMP
CID 16219895
(y)-threo-1-Phenyl-2-decanoylamino-3-morpholino-1-propanol hydrochloride
CID 11957677
1-Phenyl-2-palmitoylamino-3-morpholino-1-propanol
CID 3130
D-threo-PPMP
CID 3008318
N-[(1S,2S)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]decanamide
CID 6603971
N-(2-hydroxy-2-phenylethyl)tetradecanamide
CID 71454780
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide
CID 22769471
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclopentanecarboxamide
CID 22769485

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide (CID 111471679) is 1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide is CC(C)(C)C(=O)N1CCCC(C(=O)NCCC(O)c2ccccc2)C1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is ISXVLUAPKGEYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-20(2,3)19(25)22-13-7-10-16(14-22)18(24)21-12-11-17(23)15-8-5-4-6-9-15/h4-6,8-9,16-17,23H,7,10-14H2,1-3H3,(H,21,24).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide?
1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 111471679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).