N-butyl-N-phenyl-2-piperazin-1-ylpropanamide

C17H27N3O — CID 64586962

IUPACN-butyl-N-phenyl-2-piperazin-1-ylpropanamide
SMILESCCCCN(C(=O)C(C)N1CCNCC1)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-3-4-12-20(16-8-6-5-7-9-16)17(21)15(2)19-13-10-18-11-14-19/h5-9,15,18H,3-4,10-14H2,1-2H3
InChIKeyTWADJUSIFAEYOL-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.11
Rot. Bonds6

About N-butyl-N-phenyl-2-piperazin-1-ylpropanamide

N-butyl-N-phenyl-2-piperazin-1-ylpropanamide (PubChem CID 64586962) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-butyl-N-phenyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-butyl-N-phenyl-2-piperazin-1-ylpropanamide
PubChem CID64586962
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-butyl-N-phenyl-2-piperazin-1-ylpropanamide
SMILESCCCCN(C(=O)C(C)N1CCNCC1)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-3-4-12-20(16-8-6-5-7-9-16)17(21)15(2)19-13-10-18-11-14-19/h5-9,15,18H,3-4,10-14H2,1-2H3
InChIKeyTWADJUSIFAEYOL-UHFFFAOYSA-N
XLogP2.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-methyl-2-piperazin-1-ylpropanamide
CID 43130649
N-butyl-N-phenylazepane-1-carboxamide
CID 116656340
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
N-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide
CID 61442974
(2S)-N-ethyl-2-(4-hydroxypiperidin-1-yl)-N-phenylpropanamide
CID 94333132
1-[1-(N-ethylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119906953
(2S)-2-amino-N-butyl-N-phenylpentanamide
CID 107569866
N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 110881386
N-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide
CID 111489569
(2S)-N-ethyl-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 8595023
2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide
CID 78821968

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-phenyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-butyl-N-phenyl-2-piperazin-1-ylpropanamide (CID 64586962) is N-butyl-N-phenyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-butyl-N-phenyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-butyl-N-phenyl-2-piperazin-1-ylpropanamide is CCCCN(C(=O)C(C)N1CCNCC1)c1ccccc1.
What is the InChIKey of N-butyl-N-phenyl-2-piperazin-1-ylpropanamide?
The InChIKey is TWADJUSIFAEYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-4-12-20(16-8-6-5-7-9-16)17(21)15(2)19-13-10-18-11-14-19/h5-9,15,18H,3-4,10-14H2,1-2H3.
What are the key properties of N-butyl-N-phenyl-2-piperazin-1-ylpropanamide?
N-butyl-N-phenyl-2-piperazin-1-ylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-phenyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 64586962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).