1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea

C18H34N4O — CID 126777788

IUPAC1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea
SMILESCN1CCC(CNC(=O)NC2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C18H34N4O/c1-21-10-6-15(7-11-21)14-19-18(23)20-16-8-12-22(13-9-16)17-4-2-3-5-17/h15-17H,2-14H2,1H3,(H2,19,20,23)
InChIKeyNFZMPPLMPZQKCM-UHFFFAOYSA-N
MW322.50 g/mol
LogP2.03
Rot. Bonds4

About 1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea

1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea (PubChem CID 126777788) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea
PubChem CID126777788
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea
SMILESCN1CCC(CNC(=O)NC2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C18H34N4O/c1-21-10-6-15(7-11-21)14-19-18(23)20-16-8-12-22(13-9-16)17-4-2-3-5-17/h15-17H,2-14H2,1H3,(H2,19,20,23)
InChIKeyNFZMPPLMPZQKCM-UHFFFAOYSA-N
XLogP2.03
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 110749371
1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
CID 110749270
1-(1-methylpiperidin-4-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234533
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide
CID 16895618
1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115611118
1-(2-hydroxycyclohexyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 110933391
1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-(2-hydroxy-2,3-dimethylbutyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 111121133
2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815964
1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111751536
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide
CID 16886799

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea (CID 126777788) is 1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea is CN1CCC(CNC(=O)NC2CCN(C3CCCC3)CC2)CC1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea?
The InChIKey is NFZMPPLMPZQKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-21-10-6-15(7-11-21)14-19-18(23)20-16-8-12-22(13-9-16)17-4-2-3-5-17/h15-17H,2-14H2,1H3,(H2,19,20,23).
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea?
1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea has a molecular weight of 322.50 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 126777788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).