(2S)-N-cyclopropyl-N-(3-methylbutyl)piperidine-2-carboxamide

C14H26N2O — CID 93369841

IUPAC(2S)-N-cyclopropyl-N-(3-methylbutyl)piperidine-2-carboxamide
SMILESCC(C)CCN(C(=O)[C@@H]1CCCCN1)C1CC1
InChIInChI=1S/C14H26N2O/c1-11(2)8-10-16(12-6-7-12)14(17)13-5-3-4-9-15-13/h11-13,15H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyIUUZCSNWRGWSGY-ZDUSSCGKSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds5

About (2S)-N-cyclopropyl-N-(3-methylbutyl)piperidine-2-carboxamide

(2S)-N-cyclopropyl-N-(3-methylbutyl)piperidine-2-carboxamide (PubChem CID 93369841) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-N-(3-methylbutyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-N-(3-methylbutyl)piperidine-2-carboxamide
PubChem CID93369841
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(2S)-N-cyclopropyl-N-(3-methylbutyl)piperidine-2-carboxamide
SMILESCC(C)CCN(C(=O)[C@@H]1CCCCN1)C1CC1
InChIInChI=1S/C14H26N2O/c1-11(2)8-10-16(12-6-7-12)14(17)13-5-3-4-9-15-13/h11-13,15H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyIUUZCSNWRGWSGY-ZDUSSCGKSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-N-(3-methylbutyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-N-(3-methylbutyl)piperidine-2-carboxamide (CID 93369841) is (2S)-N-cyclopropyl-N-(3-methylbutyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-N-(3-methylbutyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-N-(3-methylbutyl)piperidine-2-carboxamide is CC(C)CCN(C(=O)[C@@H]1CCCCN1)C1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-N-(3-methylbutyl)piperidine-2-carboxamide?
The InChIKey is IUUZCSNWRGWSGY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)8-10-16(12-6-7-12)14(17)13-5-3-4-9-15-13/h11-13,15H,3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-N-(3-methylbutyl)piperidine-2-carboxamide?
(2S)-N-cyclopropyl-N-(3-methylbutyl)piperidine-2-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-N-(3-methylbutyl)piperidine-2-carboxamide is sourced from PubChem (CID 93369841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).