1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea

C14H29N3O2 — CID 95617929

IUPAC1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
SMILESCCCCNC(=O)NC[C@@H](O)CN1CCC(C)CC1
InChIInChI=1S/C14H29N3O2/c1-3-4-7-15-14(19)16-10-13(18)11-17-8-5-12(2)6-9-17/h12-13,18H,3-11H2,1-2H3,(H2,15,16,19)/t13-/m1/s1
InChIKeyIQAFYFGAKVBZOW-CYBMUJFWSA-N
MW271.40 g/mol
LogP1.18
Rot. Bonds7

About 1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea

1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea (PubChem CID 95617929) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
PubChem CID95617929
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
SMILESCCCCNC(=O)NC[C@@H](O)CN1CCC(C)CC1
InChIInChI=1S/C14H29N3O2/c1-3-4-7-15-14(19)16-10-13(18)11-17-8-5-12(2)6-9-17/h12-13,18H,3-11H2,1-2H3,(H2,15,16,19)/t13-/m1/s1
InChIKeyIQAFYFGAKVBZOW-CYBMUJFWSA-N
XLogP1.18
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 56785064
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 111111417
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea
CID 111111407
1-cycloheptyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111362
1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111368
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 56785065
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110020943
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111509367
N-butyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012179
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide
CID 111439988
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trifluorophenyl)urea
CID 111111295

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea (CID 95617929) is 1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea is CCCCNC(=O)NC[C@@H](O)CN1CCC(C)CC1.
What is the InChIKey of 1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea?
The InChIKey is IQAFYFGAKVBZOW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-3-4-7-15-14(19)16-10-13(18)11-17-8-5-12(2)6-9-17/h12-13,18H,3-11H2,1-2H3,(H2,15,16,19)/t13-/m1/s1.
What are the key properties of 1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea?
1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea has a molecular weight of 271.40 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 95617929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).