3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea

C14H27N3O — CID 108902528

IUPAC3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C)C(=O)NCC2CCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-16-9-7-13(8-10-16)17(2)14(18)15-11-12-5-3-4-6-12/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyZXBKPYGJENDZLQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.91
Rot. Bonds3

About 3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea

3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea (PubChem CID 108902528) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
PubChem CID108902528
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(N(C)C(=O)NCC2CCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-16-9-7-13(8-10-16)17(2)14(18)15-11-12-5-3-4-6-12/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyZXBKPYGJENDZLQ-UHFFFAOYSA-N
XLogP1.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108902822
1-cyclohexyl-1-methyl-3-(oxan-4-ylmethyl)urea
CID 108912761
4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79524949
N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 1459544
2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid
CID 115430777
3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108870291
1,3-bis(cyclopentylmethyl)-1-methylurea
CID 71882536
(2S)-2-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 114007115
1-methyl-3-[(4-methylphenoxy)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 108892852
1-methyl-3-[[(1S,3R)-3-methylcyclohexyl]methyl]-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 95572797
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
CID 43371697

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea (CID 108902528) is 3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea is CN1CCC(N(C)C(=O)NCC2CCCC2)CC1.
What is the InChIKey of 3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is ZXBKPYGJENDZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-9-7-13(8-10-16)17(2)14(18)15-11-12-5-3-4-6-12/h12-13H,3-11H2,1-2H3,(H,15,18).
What are the key properties of 3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea?
3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 253.39 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 108902528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).