3-hydroxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]piperidine-1-carboxamide

C14H24N4O2 — CID 110911484

IUPAC3-hydroxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]piperidine-1-carboxamide
SMILESCc1nccn1CC(C)CNC(=O)N1CCCC(O)C1
InChIInChI=1S/C14H24N4O2/c1-11(9-17-7-5-15-12(17)2)8-16-14(20)18-6-3-4-13(19)10-18/h5,7,11,13,19H,3-4,6,8-10H2,1-2H3,(H,16,20)
InChIKeyHHPPRFRHUMVBRX-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.99
Rot. Bonds4

About 3-hydroxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]piperidine-1-carboxamide

3-hydroxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]piperidine-1-carboxamide (PubChem CID 110911484) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-hydroxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]piperidine-1-carboxamide
PubChem CID110911484
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-hydroxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]piperidine-1-carboxamide
SMILESCc1nccn1CC(C)CNC(=O)N1CCCC(O)C1
InChIInChI=1S/C14H24N4O2/c1-11(9-17-7-5-15-12(17)2)8-16-14(20)18-6-3-4-13(19)10-18/h5,7,11,13,19H,3-4,6,8-10H2,1-2H3,(H,16,20)
InChIKeyHHPPRFRHUMVBRX-UHFFFAOYSA-N
XLogP0.99
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-[[2-methyl-3-(2-methylimidazol-1-yl)propyl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122001490
(3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97227591
(3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide
CID 95967582
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 119857841
1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
CID 119857869
5,7-difluoro-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71915637
5,7-difluoro-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97074725
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxypiperidine-1-carboxamide
CID 47768178
1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 97054799
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride
CID 119857824
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 110911491
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111618731

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]piperidine-1-carboxamide (CID 110911484) is 3-hydroxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]piperidine-1-carboxamide is Cc1nccn1CC(C)CNC(=O)N1CCCC(O)C1.
What is the InChIKey of 3-hydroxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]piperidine-1-carboxamide?
The InChIKey is HHPPRFRHUMVBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11(9-17-7-5-15-12(17)2)8-16-14(20)18-6-3-4-13(19)10-18/h5,7,11,13,19H,3-4,6,8-10H2,1-2H3,(H,16,20).
What are the key properties of 3-hydroxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]piperidine-1-carboxamide?
3-hydroxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]piperidine-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 110911484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).