1-butyl-3-(1-piperidin-3-ylethyl)urea

C12H25N3O — CID 43523386

IUPAC1-butyl-3-(1-piperidin-3-ylethyl)urea
SMILESCCCCNC(=O)NC(C)C1CCCNC1
InChIInChI=1S/C12H25N3O/c1-3-4-8-14-12(16)15-10(2)11-6-5-7-13-9-11/h10-11,13H,3-9H2,1-2H3,(H2,14,15,16)
InChIKeyKXRQNDPVHUAPTO-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.47
Rot. Bonds5

About 1-butyl-3-(1-piperidin-3-ylethyl)urea

1-butyl-3-(1-piperidin-3-ylethyl)urea (PubChem CID 43523386) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-butyl-3-(1-piperidin-3-ylethyl)urea.

Molecular Properties

Compound Name1-butyl-3-(1-piperidin-3-ylethyl)urea
PubChem CID43523386
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-butyl-3-(1-piperidin-3-ylethyl)urea
SMILESCCCCNC(=O)NC(C)C1CCCNC1
InChIInChI=1S/C12H25N3O/c1-3-4-8-14-12(16)15-10(2)11-6-5-7-13-9-11/h10-11,13H,3-9H2,1-2H3,(H2,14,15,16)
InChIKeyKXRQNDPVHUAPTO-UHFFFAOYSA-N
XLogP1.47
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-piperidin-3-ylethyl)-3-propylurea
CID 43523385
1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea
CID 43523388
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
1-tert-butyl-3-[(1S)-1-[(3S)-piperidin-3-yl]ethyl]urea
CID 93096345
1-benzyl-3-(1-piperidin-3-ylethyl)urea
CID 107653393
1-heptyl-3-piperidin-3-ylurea
CID 142180143
N-(1-piperidin-3-ylethyl)cyclopentanecarboxamide
CID 43523140
2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131134166
(2R)-2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131038230
2-cyclobutyl-N-(1-piperidin-3-ylethyl)acetamide
CID 103806063
N-(1-piperidin-3-ylethyl)butane-1-sulfonamide
CID 43523463
2-cycloheptyl-N-(1-piperidin-3-ylethyl)acetamide
CID 115736930

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(1-piperidin-3-ylethyl)urea?
The IUPAC name of 1-butyl-3-(1-piperidin-3-ylethyl)urea (CID 43523386) is 1-butyl-3-(1-piperidin-3-ylethyl)urea.
What is the SMILES notation for 1-butyl-3-(1-piperidin-3-ylethyl)urea?
The canonical SMILES for 1-butyl-3-(1-piperidin-3-ylethyl)urea is CCCCNC(=O)NC(C)C1CCCNC1.
What is the InChIKey of 1-butyl-3-(1-piperidin-3-ylethyl)urea?
The InChIKey is KXRQNDPVHUAPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-4-8-14-12(16)15-10(2)11-6-5-7-13-9-11/h10-11,13H,3-9H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-butyl-3-(1-piperidin-3-ylethyl)urea?
1-butyl-3-(1-piperidin-3-ylethyl)urea has a molecular weight of 227.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(1-piperidin-3-ylethyl)urea is sourced from PubChem (CID 43523386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).