1-decyl-N,N-dipropylpiperidine-3-carboxamide

C22H44N2O — CID 90679731

IUPAC1-decyl-N,N-dipropylpiperidine-3-carboxamide
SMILESCCCCCCCCCCN1CCCC(C(=O)N(CCC)CCC)C1
InChIInChI=1S/C22H44N2O/c1-4-7-8-9-10-11-12-13-18-23-19-14-15-21(20-23)22(25)24(16-5-2)17-6-3/h21H,4-20H2,1-3H3
InChIKeySKWZMIRZELNHEN-UHFFFAOYSA-N
MW352.61 g/mol
LogP5.49
Rot. Bonds14

About 1-decyl-N,N-dipropylpiperidine-3-carboxamide

1-decyl-N,N-dipropylpiperidine-3-carboxamide (PubChem CID 90679731) has the molecular formula C22H44N2O and a molecular weight of 352.61 g/mol. Its IUPAC name is 1-decyl-N,N-dipropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-decyl-N,N-dipropylpiperidine-3-carboxamide
PubChem CID90679731
Molecular FormulaC22H44N2O
Molecular Weight352.61 g/mol
Exact Mass352.35
IUPAC Name1-decyl-N,N-dipropylpiperidine-3-carboxamide
SMILESCCCCCCCCCCN1CCCC(C(=O)N(CCC)CCC)C1
InChIInChI=1S/C22H44N2O/c1-4-7-8-9-10-11-12-13-18-23-19-14-15-21(20-23)22(25)24(16-5-2)17-6-3/h21H,4-20H2,1-3H3
InChIKeySKWZMIRZELNHEN-UHFFFAOYSA-N
XLogP5.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-decyl-N,N-dipropylpiperidine-3-carboxamide?
The IUPAC name of 1-decyl-N,N-dipropylpiperidine-3-carboxamide (CID 90679731) is 1-decyl-N,N-dipropylpiperidine-3-carboxamide.
What is the SMILES notation for 1-decyl-N,N-dipropylpiperidine-3-carboxamide?
The canonical SMILES for 1-decyl-N,N-dipropylpiperidine-3-carboxamide is CCCCCCCCCCN1CCCC(C(=O)N(CCC)CCC)C1.
What is the InChIKey of 1-decyl-N,N-dipropylpiperidine-3-carboxamide?
The InChIKey is SKWZMIRZELNHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O/c1-4-7-8-9-10-11-12-13-18-23-19-14-15-21(20-23)22(25)24(16-5-2)17-6-3/h21H,4-20H2,1-3H3.
What are the key properties of 1-decyl-N,N-dipropylpiperidine-3-carboxamide?
1-decyl-N,N-dipropylpiperidine-3-carboxamide has a molecular weight of 352.61 g/mol, XLogP of 5.49, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-N,N-dipropylpiperidine-3-carboxamide is sourced from PubChem (CID 90679731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).