3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide

C20H29N3O3 — CID 162790473

IUPAC3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(C)(O)C(NC(=O)C2CC2)C1c1ccccc1
InChIInChI=1S/C20H29N3O3/c1-3-12-21-19(25)23-13-11-20(2,26)17(22-18(24)15-9-10-15)16(23)14-7-5-4-6-8-14/h4-8,15-17,26H,3,9-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyWKNMENDZUSXRCK-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.20
Rot. Bonds5

About 3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide

3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide (PubChem CID 162790473) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide
PubChem CID162790473
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(C)(O)C(NC(=O)C2CC2)C1c1ccccc1
InChIInChI=1S/C20H29N3O3/c1-3-12-21-19(25)23-13-11-20(2,26)17(22-18(24)15-9-10-15)16(23)14-7-5-4-6-8-14/h4-8,15-17,26H,3,9-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyWKNMENDZUSXRCK-UHFFFAOYSA-N
XLogP2.20
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide
CID 162968981
N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162907254
N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide
CID 162801614
3-acetamido-4-hydroxy-4-methyl-2-phenyl-N-propan-2-ylpiperidine-1-carboxamide
CID 162799918
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162790397
N-[1-(3,3-dimethylbutyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162933425
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162934093
N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]acetamide
CID 162790470
N-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162790730
4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propyl-2-thiophen-2-ylpiperidine-1-carboxamide
CID 162790734
N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162907607
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide
CID 162790477

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide (CID 162790473) is 3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC(C)(O)C(NC(=O)C2CC2)C1c1ccccc1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide?
The InChIKey is WKNMENDZUSXRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-12-21-19(25)23-13-11-20(2,26)17(22-18(24)15-9-10-15)16(23)14-7-5-4-6-8-14/h4-8,15-17,26H,3,9-13H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide?
3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 162790473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).