N-butyl-2-[4-(1-cyanopropan-2-yl)piperazin-1-yl]acetamide

C14H26N4O — CID 47049319

IUPACN-butyl-2-[4-(1-cyanopropan-2-yl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(C)CC#N)CC1
InChIInChI=1S/C14H26N4O/c1-3-4-7-16-14(19)12-17-8-10-18(11-9-17)13(2)5-6-15/h13H,3-5,7-12H2,1-2H3,(H,16,19)
InChIKeyXXTKHUIIIGASKI-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.82
Rot. Bonds7

About N-butyl-2-[4-(1-cyanopropan-2-yl)piperazin-1-yl]acetamide

N-butyl-2-[4-(1-cyanopropan-2-yl)piperazin-1-yl]acetamide (PubChem CID 47049319) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-butyl-2-[4-(1-cyanopropan-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(1-cyanopropan-2-yl)piperazin-1-yl]acetamide
PubChem CID47049319
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-butyl-2-[4-(1-cyanopropan-2-yl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(C)CC#N)CC1
InChIInChI=1S/C14H26N4O/c1-3-4-7-16-14(19)12-17-8-10-18(11-9-17)13(2)5-6-15/h13H,3-5,7-12H2,1-2H3,(H,16,19)
InChIKeyXXTKHUIIIGASKI-UHFFFAOYSA-N
XLogP0.82
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide
CID 63340262
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129
2-(4-ethylpiperazin-1-yl)-N-pentylacetamide
CID 108995511
3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide
CID 156820113
N-dodecyl-2-pyrrolidin-1-ylacetamide
CID 11971610
2-(azepan-1-yl)-N-pentylacetamide
CID 109006030
(2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide
CID 8774372
2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)propanamide
CID 43030846
N-butyl-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30653757
N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30653763
2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 46820727

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(1-cyanopropan-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-(1-cyanopropan-2-yl)piperazin-1-yl]acetamide (CID 47049319) is N-butyl-2-[4-(1-cyanopropan-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-(1-cyanopropan-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-(1-cyanopropan-2-yl)piperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(C(C)CC#N)CC1.
What is the InChIKey of N-butyl-2-[4-(1-cyanopropan-2-yl)piperazin-1-yl]acetamide?
The InChIKey is XXTKHUIIIGASKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-3-4-7-16-14(19)12-17-8-10-18(11-9-17)13(2)5-6-15/h13H,3-5,7-12H2,1-2H3,(H,16,19).
What are the key properties of N-butyl-2-[4-(1-cyanopropan-2-yl)piperazin-1-yl]acetamide?
N-butyl-2-[4-(1-cyanopropan-2-yl)piperazin-1-yl]acetamide has a molecular weight of 266.39 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(1-cyanopropan-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 47049319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).