1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea

C16H31N3O2 — CID 111438758

IUPAC1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCCCCN1CCCCC1CNC(=O)NCC1(O)CCC1
InChIInChI=1S/C16H31N3O2/c1-2-3-10-19-11-5-4-7-14(19)12-17-15(20)18-13-16(21)8-6-9-16/h14,21H,2-13H2,1H3,(H2,17,18,20)
InChIKeyMCTHYAWZKYFGIC-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.86
Rot. Bonds7

About 1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea

1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 111438758) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID111438758
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCCCCN1CCCCC1CNC(=O)NCC1(O)CCC1
InChIInChI=1S/C16H31N3O2/c1-2-3-10-19-11-5-4-7-14(19)12-17-15(20)18-13-16(21)8-6-9-16/h14,21H,2-13H2,1H3,(H2,17,18,20)
InChIKeyMCTHYAWZKYFGIC-UHFFFAOYSA-N
XLogP1.86
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111506154
1-[[(2R)-1-butylpiperidin-2-yl]methyl]-3-[(2,6-dimethylpyrimidin-4-yl)methyl]urea
CID 124880993
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343
1-(1-octylpiperidin-2-yl)propan-2-one
CID 79537819
1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea
CID 110936693
1-[(1-butylpiperidin-2-yl)methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]urea
CID 86953624
N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63527668
1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122001414
4-[[(1-butylpiperidin-2-yl)methylamino]methyl]benzoic acid
CID 122031194
N-[(1-butylpiperidin-2-yl)methyl]-3-piperidin-4-ylbutanamide
CID 119866856
1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433973
1-dodecyl-2-ethylpiperidine
CID 171569899

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea (CID 111438758) is 1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea is CCCCN1CCCCC1CNC(=O)NCC1(O)CCC1.
What is the InChIKey of 1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is MCTHYAWZKYFGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-2-3-10-19-11-5-4-7-14(19)12-17-15(20)18-13-16(21)8-6-9-16/h14,21H,2-13H2,1H3,(H2,17,18,20).
What are the key properties of 1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 297.44 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 111438758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).