4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide

C13H25N3O2 — CID 165457542

IUPAC4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(OC2CNC2)CC1
InChIInChI=1S/C13H25N3O2/c1-2-3-6-15-13(17)16-7-4-11(5-8-16)18-12-9-14-10-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyBCYVBDRBAHBJJJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.95
Rot. Bonds5

About 4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide

4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide (PubChem CID 165457542) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide
PubChem CID165457542
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(OC2CNC2)CC1
InChIInChI=1S/C13H25N3O2/c1-2-3-6-15-13(17)16-7-4-11(5-8-16)18-12-9-14-10-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyBCYVBDRBAHBJJJ-UHFFFAOYSA-N
XLogP0.95
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-piperidin-4-yloxyazetidine-1-carboxamide
CID 165450809
N-butylaziridine-1-carboxamide
CID 55206947
3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 55251437
N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide
CID 63249024
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
N-butyl-4-tert-butylpiperidine-1-carboxamide
CID 113237148
4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
CID 110894057
ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate
CID 3860423
N-(3-butoxypropyl)azetidine-1-carboxamide
CID 71943747
N-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide
CID 2805781
N-butyl-2,6-dimethylpiperazine-1-carboxamide
CID 63911594

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide?
The IUPAC name of 4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide (CID 165457542) is 4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide?
The canonical SMILES for 4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide is CCCCNC(=O)N1CCC(OC2CNC2)CC1.
What is the InChIKey of 4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide?
The InChIKey is BCYVBDRBAHBJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-3-6-15-13(17)16-7-4-11(5-8-16)18-12-9-14-10-12/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of 4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide?
4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide is sourced from PubChem (CID 165457542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).