1-(4-methylcyclohexyl)-1-[1-(piperidine-1-carbonyl)piperidin-4-yl]urea

C19H34N4O2 — CID 67472922

IUPAC1-(4-methylcyclohexyl)-1-[1-(piperidine-1-carbonyl)piperidin-4-yl]urea
SMILESCC1CCC(N(C(N)=O)C2CCN(C(=O)N3CCCCC3)CC2)CC1
InChIInChI=1S/C19H34N4O2/c1-15-5-7-16(8-6-15)23(18(20)24)17-9-13-22(14-10-17)19(25)21-11-3-2-4-12-21/h15-17H,2-14H2,1H3,(H2,20,24)
InChIKeyGDDDEYYRSUZIAF-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.02
Rot. Bonds2

About 1-(4-methylcyclohexyl)-1-[1-(piperidine-1-carbonyl)piperidin-4-yl]urea

1-(4-methylcyclohexyl)-1-[1-(piperidine-1-carbonyl)piperidin-4-yl]urea (PubChem CID 67472922) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-1-[1-(piperidine-1-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-1-[1-(piperidine-1-carbonyl)piperidin-4-yl]urea
PubChem CID67472922
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Name1-(4-methylcyclohexyl)-1-[1-(piperidine-1-carbonyl)piperidin-4-yl]urea
SMILESCC1CCC(N(C(N)=O)C2CCN(C(=O)N3CCCCC3)CC2)CC1
InChIInChI=1S/C19H34N4O2/c1-15-5-7-16(8-6-15)23(18(20)24)17-9-13-22(14-10-17)19(25)21-11-3-2-4-12-21/h15-17H,2-14H2,1H3,(H2,20,24)
InChIKeyGDDDEYYRSUZIAF-UHFFFAOYSA-N
XLogP3.02
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-1-[1-(piperidine-1-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-(4-methylcyclohexyl)-1-[1-(piperidine-1-carbonyl)piperidin-4-yl]urea (CID 67472922) is 1-(4-methylcyclohexyl)-1-[1-(piperidine-1-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(4-methylcyclohexyl)-1-[1-(piperidine-1-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(4-methylcyclohexyl)-1-[1-(piperidine-1-carbonyl)piperidin-4-yl]urea is CC1CCC(N(C(N)=O)C2CCN(C(=O)N3CCCCC3)CC2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-1-[1-(piperidine-1-carbonyl)piperidin-4-yl]urea?
The InChIKey is GDDDEYYRSUZIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-15-5-7-16(8-6-15)23(18(20)24)17-9-13-22(14-10-17)19(25)21-11-3-2-4-12-21/h15-17H,2-14H2,1H3,(H2,20,24).
What are the key properties of 1-(4-methylcyclohexyl)-1-[1-(piperidine-1-carbonyl)piperidin-4-yl]urea?
1-(4-methylcyclohexyl)-1-[1-(piperidine-1-carbonyl)piperidin-4-yl]urea has a molecular weight of 350.51 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-1-[1-(piperidine-1-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 67472922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).