1-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-3-cyclohexylurea

C20H30N4O2 — CID 119304281

IUPAC1-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-3-cyclohexylurea
SMILESNCc1ccc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C20H30N4O2/c21-14-15-6-8-16(9-7-15)19(25)24-12-10-18(11-13-24)23-20(26)22-17-4-2-1-3-5-17/h6-9,17-18H,1-5,10-14,21H2,(H2,22,23,26)
InChIKeyQJHPLQINRNRMFT-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.38
Rot. Bonds4

About 1-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-3-cyclohexylurea

1-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-3-cyclohexylurea (PubChem CID 119304281) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-3-cyclohexylurea
PubChem CID119304281
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-3-cyclohexylurea
SMILESNCc1ccc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C20H30N4O2/c21-14-15-6-8-16(9-7-15)19(25)24-12-10-18(11-13-24)23-20(26)22-17-4-2-1-3-5-17/h6-9,17-18H,1-5,10-14,21H2,(H2,22,23,26)
InChIKeyQJHPLQINRNRMFT-UHFFFAOYSA-N
XLogP2.38
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 119182459
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
CID 54936547
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide
CID 63588883
benzyl 4-[[4-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate;hydrochloride
CID 165436550
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea
CID 119944988
[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119275315
[4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride
CID 119275334
1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 119285166
1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108676
1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid
CID 61157537

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-3-cyclohexylurea?
The IUPAC name of 1-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-3-cyclohexylurea (CID 119304281) is 1-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-3-cyclohexylurea.
What is the SMILES notation for 1-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-3-cyclohexylurea?
The canonical SMILES for 1-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-3-cyclohexylurea is NCc1ccc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of 1-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-3-cyclohexylurea?
The InChIKey is QJHPLQINRNRMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c21-14-15-6-8-16(9-7-15)19(25)24-12-10-18(11-13-24)23-20(26)22-17-4-2-1-3-5-17/h6-9,17-18H,1-5,10-14,21H2,(H2,22,23,26).
What are the key properties of 1-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-3-cyclohexylurea?
1-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-3-cyclohexylurea has a molecular weight of 358.49 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-3-cyclohexylurea is sourced from PubChem (CID 119304281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).