N-[2-carbamoyl-6-(1-hydroxyethyl)phenyl]-1-propan-2-ylpiperidine-4-carboxamide

C18H27N3O3 — CID 86591101

IUPACN-[2-carbamoyl-6-(1-hydroxyethyl)phenyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(O)c1cccc(C(N)=O)c1NC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C18H27N3O3/c1-11(2)21-9-7-13(8-10-21)18(24)20-16-14(12(3)22)5-4-6-15(16)17(19)23/h4-6,11-13,22H,7-10H2,1-3H3,(H2,19,23)(H,20,24)
InChIKeyMPXMKWZCXBPXBX-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.90
Rot. Bonds5

About N-[2-carbamoyl-6-(1-hydroxyethyl)phenyl]-1-propan-2-ylpiperidine-4-carboxamide

N-[2-carbamoyl-6-(1-hydroxyethyl)phenyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 86591101) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-carbamoyl-6-(1-hydroxyethyl)phenyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-carbamoyl-6-(1-hydroxyethyl)phenyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID86591101
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[2-carbamoyl-6-(1-hydroxyethyl)phenyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(O)c1cccc(C(N)=O)c1NC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C18H27N3O3/c1-11(2)21-9-7-13(8-10-21)18(24)20-16-14(12(3)22)5-4-6-15(16)17(19)23/h4-6,11-13,22H,7-10H2,1-3H3,(H2,19,23)(H,20,24)
InChIKeyMPXMKWZCXBPXBX-UHFFFAOYSA-N
XLogP1.90
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N~9~-(1-Benzyl-4-piperidyl)-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide
CID 110201043
7-Hydroxy-1-methyl-N-{[4-(4-methylpiperidin-1-YL)phenyl]methyl}-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide
CID 110201095
(6E,10R,12S)-17-(hydroxymethyl)-12-[(1R)-1-hydroxy-2-[(3-propan-2-ylphenyl)methylamino]ethyl]-10-methyl-2,13-diazabicyclo[13.3.1]nonadeca-1(18),6,15(19),16-tetraen-14-one
CID 166612101
7-hydroxy-1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide
CID 110201040
7-hydroxy-1-methyl-N-(4-methylphenyl)-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide
CID 110201046
N~9~-Cyclohexyl-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide
CID 110201049
7-hydroxy-1-methyl-N-(3-phenylpropyl)-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide
CID 110201053
N-[2-(cyclohexen-1-yl)ethyl]-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide
CID 110201058
7-hydroxy-N-(3-methoxypropyl)-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide
CID 110201060
N~9~-(Cyclopropylmethyl)-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide
CID 110201074
(7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-9-yl)(4-isopropylpiperazino)methanone
CID 110201080
1-Methyl-9-[4-(prop-2-EN-1-YL)piperazine-1-carbonyl]-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-7-OL
CID 110201082

Frequently Asked Questions

What is the IUPAC name of N-[2-carbamoyl-6-(1-hydroxyethyl)phenyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-carbamoyl-6-(1-hydroxyethyl)phenyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 86591101) is N-[2-carbamoyl-6-(1-hydroxyethyl)phenyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-carbamoyl-6-(1-hydroxyethyl)phenyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-carbamoyl-6-(1-hydroxyethyl)phenyl]-1-propan-2-ylpiperidine-4-carboxamide is CC(O)c1cccc(C(N)=O)c1NC(=O)C1CCN(C(C)C)CC1.
What is the InChIKey of N-[2-carbamoyl-6-(1-hydroxyethyl)phenyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is MPXMKWZCXBPXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-11(2)21-9-7-13(8-10-21)18(24)20-16-14(12(3)22)5-4-6-15(16)17(19)23/h4-6,11-13,22H,7-10H2,1-3H3,(H2,19,23)(H,20,24).
What are the key properties of N-[2-carbamoyl-6-(1-hydroxyethyl)phenyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-[2-carbamoyl-6-(1-hydroxyethyl)phenyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-carbamoyl-6-(1-hydroxyethyl)phenyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 86591101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).