4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide

C23H32N6O2 — CID 86933267

IUPAC4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)NC1CCN(C(=O)Nc2ccc(Cn3ccnc3)cc2)CC1
InChIInChI=1S/C23H32N6O2/c30-22(25-19-4-2-1-3-5-19)26-21-10-13-29(14-11-21)23(31)27-20-8-6-18(7-9-20)16-28-15-12-24-17-28/h6-9,12,15,17,19,21H,1-5,10-11,13-14,16H2,(H,27,31)(H2,25,26,30)
InChIKeyKXHQKHJTHBNAOU-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.56
Rot. Bonds5

About 4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide

4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide (PubChem CID 86933267) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
PubChem CID86933267
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)NC1CCN(C(=O)Nc2ccc(Cn3ccnc3)cc2)CC1
InChIInChI=1S/C23H32N6O2/c30-22(25-19-4-2-1-3-5-19)26-21-10-13-29(14-11-21)23(31)27-20-8-6-18(7-9-20)16-28-15-12-24-17-28/h6-9,12,15,17,19,21H,1-5,10-11,13-14,16H2,(H,27,31)(H2,25,26,30)
InChIKeyKXHQKHJTHBNAOU-UHFFFAOYSA-N
XLogP3.56
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918576
N-cyclohexyl-4-[[(2R)-1-imidazol-1-ylpropan-2-yl]amino]piperidine-1-carboxamide
CID 95388436
N'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide
CID 155950924
1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 60591547
4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 119049838
3-(1,3-benzoxazol-2-yl)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 86933260
1-cyclohexyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110958222
N-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide
CID 119104686
4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 56554619
1-(4-cyclopropyl-1H-pyrazol-5-yl)-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 166322333
3-(hydroxymethyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 47016169
1-cyclohexyl-3-[4-(hydroxymethyl)phenyl]urea
CID 64793584

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide (CID 86933267) is 4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide is O=C(NC1CCCCC1)NC1CCN(C(=O)Nc2ccc(Cn3ccnc3)cc2)CC1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is KXHQKHJTHBNAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c30-22(25-19-4-2-1-3-5-19)26-21-10-13-29(14-11-21)23(31)27-20-8-6-18(7-9-20)16-28-15-12-24-17-28/h6-9,12,15,17,19,21H,1-5,10-11,13-14,16H2,(H,27,31)(H2,25,26,30).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide?
4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 86933267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).