4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide

C20H28N4O3 — CID 97443799

IUPAC4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)N1CCC([C@@H](O)c2nccn2C)CC1
InChIInChI=1S/C20H28N4O3/c1-14(2)27-17-7-5-4-6-16(17)22-20(26)24-11-8-15(9-12-24)18(25)19-21-10-13-23(19)3/h4-7,10,13-15,18,25H,8-9,11-12H2,1-3H3,(H,22,26)/t18-/m1/s1
InChIKeyQSNVJIWCVNQEKU-GOSISDBHSA-N
MW372.47 g/mol
LogP3.18
Rot. Bonds5

About 4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide

4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide (PubChem CID 97443799) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide
PubChem CID97443799
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)N1CCC([C@@H](O)c2nccn2C)CC1
InChIInChI=1S/C20H28N4O3/c1-14(2)27-17-7-5-4-6-16(17)22-20(26)24-11-8-15(9-12-24)18(25)19-21-10-13-23(19)3/h4-7,10,13-15,18,25H,8-9,11-12H2,1-3H3,(H,22,26)/t18-/m1/s1
InChIKeyQSNVJIWCVNQEKU-GOSISDBHSA-N
XLogP3.18
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(2-chlorophenyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 97236430
(2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one
CID 124616877
N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111453726
N-[2-(difluoromethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424799
(E)-1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbut-2-en-1-one
CID 132970323
N-(2-acetamidophenyl)-2-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 95133334
3-(1,3-dihydroisoindol-2-yl)-1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 91795299
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide
CID 97455589
[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 99699860
(1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 121496323
1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124750923

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide (CID 97443799) is 4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide is CC(C)Oc1ccccc1NC(=O)N1CCC([C@@H](O)c2nccn2C)CC1.
What is the InChIKey of 4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide?
The InChIKey is QSNVJIWCVNQEKU-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14(2)27-17-7-5-4-6-16(17)22-20(26)24-11-8-15(9-12-24)18(25)19-21-10-13-23(19)3/h4-7,10,13-15,18,25H,8-9,11-12H2,1-3H3,(H,22,26)/t18-/m1/s1.
What are the key properties of 4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide?
4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 97443799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).