N-pentyl-N-propan-2-ylpiperazine-2-carboxamide

C13H27N3O — CID 63103637

IUPACN-pentyl-N-propan-2-ylpiperazine-2-carboxamide
SMILESCCCCCN(C(=O)C1CNCCN1)C(C)C
InChIInChI=1S/C13H27N3O/c1-4-5-6-9-16(11(2)3)13(17)12-10-14-7-8-15-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeyRZQWWTVCKMCOHE-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.98
Rot. Bonds6

About N-pentyl-N-propan-2-ylpiperazine-2-carboxamide

N-pentyl-N-propan-2-ylpiperazine-2-carboxamide (PubChem CID 63103637) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-pentyl-N-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-pentyl-N-propan-2-ylpiperazine-2-carboxamide
PubChem CID63103637
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-pentyl-N-propan-2-ylpiperazine-2-carboxamide
SMILESCCCCCN(C(=O)C1CNCCN1)C(C)C
InChIInChI=1S/C13H27N3O/c1-4-5-6-9-16(11(2)3)13(17)12-10-14-7-8-15-12/h11-12,14-15H,4-10H2,1-3H3
InChIKeyRZQWWTVCKMCOHE-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.98
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-(2-amino-2-oxoethyl)-N-propan-2-ylpiperazine-2-carboxamide
CID 63103106
N-(2-amino-2-oxoethyl)-N-butylpiperazine-2-carboxamide
CID 63104176
6-methyl-N-pentyl-N-propan-2-ylpiperidine-3-carboxamide
CID 55001842
(2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide
CID 61156228
N,N-dimethylpiperazine-2-carboxamide
CID 21295694
pentyl piperazine-2-carboxylate
CID 173092252
(2R)-2-[(2R)-piperazine-2-carbonyl]octanoic acid
CID 151096109
4-methyl-N-propan-2-yl-N-propylpiperidine-2-carboxamide
CID 114422783
(2S)-N-methyl-N-pentylaziridine-2-carboxamide
CID 170218604
5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide
CID 107433786
N-pentan-2-yl-N-pentylpiperidine-3-carboxamide;hydrochloride
CID 119306124
4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide
CID 63128354

Frequently Asked Questions

What is the IUPAC name of N-pentyl-N-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of N-pentyl-N-propan-2-ylpiperazine-2-carboxamide (CID 63103637) is N-pentyl-N-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for N-pentyl-N-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for N-pentyl-N-propan-2-ylpiperazine-2-carboxamide is CCCCCN(C(=O)C1CNCCN1)C(C)C.
What is the InChIKey of N-pentyl-N-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is RZQWWTVCKMCOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-5-6-9-16(11(2)3)13(17)12-10-14-7-8-15-12/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of N-pentyl-N-propan-2-ylpiperazine-2-carboxamide?
N-pentyl-N-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-N-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 63103637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).