cis-(1S,3R)-3-hydroxy-N-[(1-propylimidazol-2-yl)methyl]cyclohexane-1-carboxamide

C14H23N3O2 — CID 91788745

IUPACcis-(1S,3R)-3-hydroxy-N-[(1-propylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCCCn1ccnc1CNC(=O)[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C14H23N3O2/c1-2-7-17-8-6-15-13(17)10-16-14(19)11-4-3-5-12(18)9-11/h6,8,11-12,18H,2-5,7,9-10H2,1H3,(H,16,19)/t11-,12+/m0/s1
InChIKeyQWXSIXHDAYFCKC-NWDGAFQWSA-N
MW265.36 g/mol
LogP1.46
Rot. Bonds5

About cis-(1S,3R)-3-hydroxy-N-[(1-propylimidazol-2-yl)methyl]cyclohexane-1-carboxamide

cis-(1S,3R)-3-hydroxy-N-[(1-propylimidazol-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 91788745) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is cis-(1S,3R)-3-hydroxy-N-[(1-propylimidazol-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-hydroxy-N-[(1-propylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID91788745
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namecis-(1S,3R)-3-hydroxy-N-[(1-propylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCCCn1ccnc1CNC(=O)[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C14H23N3O2/c1-2-7-17-8-6-15-13(17)10-16-14(19)11-4-3-5-12(18)9-11/h6,8,11-12,18H,2-5,7,9-10H2,1H3,(H,16,19)/t11-,12+/m0/s1
InChIKeyQWXSIXHDAYFCKC-NWDGAFQWSA-N
XLogP1.46
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 72857945
(3R)-1-(furan-2-ylmethyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 125437302
2-(azocan-1-yl)-N-[(1-propylimidazol-2-yl)methyl]acetamide
CID 122558206
N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 91777093
3-methyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 62955948
3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one
CID 106129389
1-[2-(azepan-1-yl)ethyl]-1-methyl-3-[(1-propylimidazol-2-yl)methyl]urea
CID 122560379
(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81394730
1-(cyclobutanecarbonyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidine-4-carboxamide
CID 72851366
(2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
CID 120638608
1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one
CID 114164351
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
CID 71975238

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-hydroxy-N-[(1-propylimidazol-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-hydroxy-N-[(1-propylimidazol-2-yl)methyl]cyclohexane-1-carboxamide (CID 91788745) is cis-(1S,3R)-3-hydroxy-N-[(1-propylimidazol-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-hydroxy-N-[(1-propylimidazol-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-hydroxy-N-[(1-propylimidazol-2-yl)methyl]cyclohexane-1-carboxamide is CCCn1ccnc1CNC(=O)[C@H]1CCC[C@@H](O)C1.
What is the InChIKey of cis-(1S,3R)-3-hydroxy-N-[(1-propylimidazol-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is QWXSIXHDAYFCKC-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-7-17-8-6-15-13(17)10-16-14(19)11-4-3-5-12(18)9-11/h6,8,11-12,18H,2-5,7,9-10H2,1H3,(H,16,19)/t11-,12+/m0/s1.
What are the key properties of cis-(1S,3R)-3-hydroxy-N-[(1-propylimidazol-2-yl)methyl]cyclohexane-1-carboxamide?
cis-(1S,3R)-3-hydroxy-N-[(1-propylimidazol-2-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-hydroxy-N-[(1-propylimidazol-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 91788745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).