[1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea

C14H26N4O2 — CID 119765929

IUPAC[1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea
SMILESNC(=O)NCC1CCCCN1C(=O)C1CCCC(N)C1
InChIInChI=1S/C14H26N4O2/c15-11-5-3-4-10(8-11)13(19)18-7-2-1-6-12(18)9-17-14(16)20/h10-12H,1-9,15H2,(H3,16,17,20)
InChIKeyFLQAKRBGQJRHDN-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.55
Rot. Bonds3

About [1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea

[1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea (PubChem CID 119765929) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is [1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea.

Molecular Properties

Compound Name[1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea
PubChem CID119765929
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name[1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea
SMILESNC(=O)NCC1CCCCN1C(=O)C1CCCC(N)C1
InChIInChI=1S/C14H26N4O2/c15-11-5-3-4-10(8-11)13(19)18-7-2-1-6-12(18)9-17-14(16)20/h10-12H,1-9,15H2,(H3,16,17,20)
InChIKeyFLQAKRBGQJRHDN-UHFFFAOYSA-N
XLogP0.55
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(piperidine-3-carbonyl)piperidin-2-yl]methylurea
CID 119313333
[(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea
CID 124593040
[(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 124686128
N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide
CID 119766246
[1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea
CID 102602951
(3-aminocyclohexyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 62777355
[1-(4-aminobutanoyl)piperidin-2-yl]methylurea
CID 119313337
2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid
CID 66010040
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-aminocyclohexyl)methanone;hydrochloride
CID 119686901
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
[(1R,3R)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone
CID 125147082
[(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone
CID 125147083

Frequently Asked Questions

What is the IUPAC name of [1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea?
The IUPAC name of [1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea (CID 119765929) is [1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea.
What is the SMILES notation for [1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea?
The canonical SMILES for [1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea is NC(=O)NCC1CCCCN1C(=O)C1CCCC(N)C1.
What is the InChIKey of [1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea?
The InChIKey is FLQAKRBGQJRHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c15-11-5-3-4-10(8-11)13(19)18-7-2-1-6-12(18)9-17-14(16)20/h10-12H,1-9,15H2,(H3,16,17,20).
What are the key properties of [1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea?
[1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea has a molecular weight of 282.39 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea is sourced from PubChem (CID 119765929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).