(3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide

C12H20N4O2 — CID 125445470

IUPAC(3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide
SMILESCCn1cncc1CNC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C12H20N4O2/c1-2-15-9-13-6-10(15)7-14-12(18)16-5-3-4-11(17)8-16/h6,9,11,17H,2-5,7-8H2,1H3,(H,14,18)/t11-/m0/s1
InChIKeyWKPLEALTQOSSHM-NSHDSACASA-N
MW252.32 g/mol
LogP0.57
Rot. Bonds3

About (3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide

(3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 125445470) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide
PubChem CID125445470
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide
SMILESCCn1cncc1CNC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C12H20N4O2/c1-2-15-9-13-6-10(15)7-14-12(18)16-5-3-4-11(17)8-16/h6,9,11,17H,2-5,7-8H2,1H3,(H,14,18)/t11-/m0/s1
InChIKeyWKPLEALTQOSSHM-NSHDSACASA-N
XLogP0.57
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide
CID 122569446
N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide;formic acid
CID 154911064
(3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide
CID 125444704
3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide
CID 110901464
(3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 126433362
3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 111104361
N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 66133411
(2S)-N-[(3-ethylimidazol-4-yl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide;dihydrochloride
CID 154911197
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[(3-ethylimidazol-4-yl)methyl]acetamide
CID 166614544
(3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide
CID 125442586
4-[[[(3S)-3-hydroxypiperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020589
3-hydroxy-N-(2-hydroxyethyl)piperidine-1-carboxamide
CID 130943838

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of (3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide (CID 125445470) is (3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide is CCn1cncc1CNC(=O)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is WKPLEALTQOSSHM-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-15-9-13-6-10(15)7-14-12(18)16-5-3-4-11(17)8-16/h6,9,11,17H,2-5,7-8H2,1H3,(H,14,18)/t11-/m0/s1.
What are the key properties of (3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide?
(3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 125445470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).