(3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide

C16H22N4O3 — CID 97075763

IUPAC(3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)NCc2ccco2)C1
InChIInChI=1S/C16H22N4O3/c1-19-8-6-17-15(19)14(21)12-4-2-7-20(11-12)16(22)18-10-13-5-3-9-23-13/h3,5-6,8-9,12,14,21H,2,4,7,10-11H2,1H3,(H,18,22)/t12-,14+/m1/s1
InChIKeyVIBPOMOETPUWPP-OCCSQVGLSA-N
MW318.38 g/mol
LogP1.67
Rot. Bonds4

About (3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide

(3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 97075763) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is (3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
PubChem CID97075763
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name(3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)NCc2ccco2)C1
InChIInChI=1S/C16H22N4O3/c1-19-8-6-17-15(19)14(21)12-4-2-7-20(11-12)16(22)18-10-13-5-3-9-23-13/h3,5-6,8-9,12,14,21H,2,4,7,10-11H2,1H3,(H,18,22)/t12-,14+/m1/s1
InChIKeyVIBPOMOETPUWPP-OCCSQVGLSA-N
XLogP1.67
TPSA83.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.67
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
(3S)-4-ethyl-N-(furan-2-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 129327735
(S)-[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 124757025
1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea
CID 128975594
4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid
CID 97203993
N-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 97075772
[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-(methoxymethyl)thiophen-2-yl]methanone
CID 110007880
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine
CID 61211228
2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 97236480
(1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol
CID 133384569
N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 154773668
N-(furan-2-ylmethyl)-2,6-dimethylmorpholine-4-carboxamide
CID 47125598

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide (CID 97075763) is (3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide is Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)NCc2ccco2)C1.
What is the InChIKey of (3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is VIBPOMOETPUWPP-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-19-8-6-17-15(19)14(21)12-4-2-7-20(11-12)16(22)18-10-13-5-3-9-23-13/h3,5-6,8-9,12,14,21H,2,4,7,10-11H2,1H3,(H,18,22)/t12-,14+/m1/s1.
What are the key properties of (3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide?
(3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 97075763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).