4-[methyl(oxan-4-yl)amino]-N-propylpiperidine-1-carboxamide

C15H29N3O2 — CID 91916171

IUPAC4-[methyl(oxan-4-yl)amino]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(N(C)C2CCOCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-3-8-16-15(19)18-9-4-13(5-10-18)17(2)14-6-11-20-12-7-14/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyUCTJKEUGRYJXMC-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.68
Rot. Bonds4

About 4-[methyl(oxan-4-yl)amino]-N-propylpiperidine-1-carboxamide

4-[methyl(oxan-4-yl)amino]-N-propylpiperidine-1-carboxamide (PubChem CID 91916171) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[methyl(oxan-4-yl)amino]-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[methyl(oxan-4-yl)amino]-N-propylpiperidine-1-carboxamide
PubChem CID91916171
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-[methyl(oxan-4-yl)amino]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(N(C)C2CCOCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-3-8-16-15(19)18-9-4-13(5-10-18)17(2)14-6-11-20-12-7-14/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyUCTJKEUGRYJXMC-UHFFFAOYSA-N
XLogP1.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(oxan-4-yl)amino]-N-propylpiperidine-1-carboxamide?
The IUPAC name of 4-[methyl(oxan-4-yl)amino]-N-propylpiperidine-1-carboxamide (CID 91916171) is 4-[methyl(oxan-4-yl)amino]-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[methyl(oxan-4-yl)amino]-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 4-[methyl(oxan-4-yl)amino]-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC(N(C)C2CCOCC2)CC1.
What is the InChIKey of 4-[methyl(oxan-4-yl)amino]-N-propylpiperidine-1-carboxamide?
The InChIKey is UCTJKEUGRYJXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-8-16-15(19)18-9-4-13(5-10-18)17(2)14-6-11-20-12-7-14/h13-14H,3-12H2,1-2H3,(H,16,19).
What are the key properties of 4-[methyl(oxan-4-yl)amino]-N-propylpiperidine-1-carboxamide?
4-[methyl(oxan-4-yl)amino]-N-propylpiperidine-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxan-4-yl)amino]-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 91916171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).