1-[(1R)-2-methylcyclohexyl]-1-(1-pyrrolidin-3-ylpiperidin-4-yl)urea

C17H32N4O — CID 163632222

IUPAC1-[(1R)-2-methylcyclohexyl]-1-(1-pyrrolidin-3-ylpiperidin-4-yl)urea
SMILESCC1CCCC[C@H]1N(C(N)=O)C1CCN(C2CCNC2)CC1
InChIInChI=1S/C17H32N4O/c1-13-4-2-3-5-16(13)21(17(18)22)14-7-10-20(11-8-14)15-6-9-19-12-15/h13-16,19H,2-12H2,1H3,(H2,18,22)/t13?,15?,16-/m1/s1
InChIKeyHXDAXBTXTSITEW-AVVWSFFYSA-N
MW308.47 g/mol
LogP1.77
Rot. Bonds3

About 1-[(1R)-2-methylcyclohexyl]-1-(1-pyrrolidin-3-ylpiperidin-4-yl)urea

1-[(1R)-2-methylcyclohexyl]-1-(1-pyrrolidin-3-ylpiperidin-4-yl)urea (PubChem CID 163632222) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-[(1R)-2-methylcyclohexyl]-1-(1-pyrrolidin-3-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(1R)-2-methylcyclohexyl]-1-(1-pyrrolidin-3-ylpiperidin-4-yl)urea
PubChem CID163632222
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name1-[(1R)-2-methylcyclohexyl]-1-(1-pyrrolidin-3-ylpiperidin-4-yl)urea
SMILESCC1CCCC[C@H]1N(C(N)=O)C1CCN(C2CCNC2)CC1
InChIInChI=1S/C17H32N4O/c1-13-4-2-3-5-16(13)21(17(18)22)14-7-10-20(11-8-14)15-6-9-19-12-15/h13-16,19H,2-12H2,1H3,(H2,18,22)/t13?,15?,16-/m1/s1
InChIKeyHXDAXBTXTSITEW-AVVWSFFYSA-N
XLogP1.77
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-2-methylcyclohexyl]-1-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]urea
CID 143591949
N,N-dimethyl-1-pyrrolidin-3-ylpiperidin-4-amine
CID 62328090
(4-pyrrolidin-3-ylpiperazin-1-yl) carbamate
CID 175422718
3-(azetidin-1-yl)pyrrolidine;hydrochloride
CID 53414698
1-ethyl-1-(2-methylcyclohexyl)urea
CID 174296150
1-pyrrolidin-3-ylazepan-4-ol
CID 115016770
N,N-diethyl-1-pyrrolidin-3-ylpyrrolidin-3-amine
CID 63167575
(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol
CID 142143795
1-cyclohexyl-1-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]urea;ethane
CID 143776516
1-ethyl-1-(2-methylcyclohexyl)urea;hydrochloride
CID 174296149
4-methyl-1-pyrrolidin-3-ylpiperidin-3-ol
CID 102969108
4-ethyl-1-pyrrolidin-3-ylpiperidine
CID 62328798

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-methylcyclohexyl]-1-(1-pyrrolidin-3-ylpiperidin-4-yl)urea?
The IUPAC name of 1-[(1R)-2-methylcyclohexyl]-1-(1-pyrrolidin-3-ylpiperidin-4-yl)urea (CID 163632222) is 1-[(1R)-2-methylcyclohexyl]-1-(1-pyrrolidin-3-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(1R)-2-methylcyclohexyl]-1-(1-pyrrolidin-3-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(1R)-2-methylcyclohexyl]-1-(1-pyrrolidin-3-ylpiperidin-4-yl)urea is CC1CCCC[C@H]1N(C(N)=O)C1CCN(C2CCNC2)CC1.
What is the InChIKey of 1-[(1R)-2-methylcyclohexyl]-1-(1-pyrrolidin-3-ylpiperidin-4-yl)urea?
The InChIKey is HXDAXBTXTSITEW-AVVWSFFYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-13-4-2-3-5-16(13)21(17(18)22)14-7-10-20(11-8-14)15-6-9-19-12-15/h13-16,19H,2-12H2,1H3,(H2,18,22)/t13?,15?,16-/m1/s1.
What are the key properties of 1-[(1R)-2-methylcyclohexyl]-1-(1-pyrrolidin-3-ylpiperidin-4-yl)urea?
1-[(1R)-2-methylcyclohexyl]-1-(1-pyrrolidin-3-ylpiperidin-4-yl)urea has a molecular weight of 308.47 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-methylcyclohexyl]-1-(1-pyrrolidin-3-ylpiperidin-4-yl)urea is sourced from PubChem (CID 163632222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).