2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-piperidin-3-ylethyl)butanamide

C18H25ClN6O — CID 119558598

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-piperidin-3-ylethyl)butanamide
SMILESCCC(C(=O)NCCC1CCCNC1)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H25ClN6O/c1-2-16(18(26)21-11-9-13-4-3-10-20-12-13)25-23-17(22-24-25)14-5-7-15(19)8-6-14/h5-8,13,16,20H,2-4,9-12H2,1H3,(H,21,26)
InChIKeyDBKFOSRTSHEAHY-UHFFFAOYSA-N
MW376.89 g/mol
LogP2.45
Rot. Bonds7

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-piperidin-3-ylethyl)butanamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-piperidin-3-ylethyl)butanamide (PubChem CID 119558598) has the molecular formula C18H25ClN6O and a molecular weight of 376.89 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-piperidin-3-ylethyl)butanamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-piperidin-3-ylethyl)butanamide
PubChem CID119558598
Molecular FormulaC18H25ClN6O
Molecular Weight376.89 g/mol
Exact Mass376.18
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-piperidin-3-ylethyl)butanamide
SMILESCCC(C(=O)NCCC1CCCNC1)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H25ClN6O/c1-2-16(18(26)21-11-9-13-4-3-10-20-12-13)25-23-17(22-24-25)14-5-7-15(19)8-6-14/h5-8,13,16,20H,2-4,9-12H2,1H3,(H,21,26)
InChIKeyDBKFOSRTSHEAHY-UHFFFAOYSA-N
XLogP2.45
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoylamino]propanoic acid
CID 119176861
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536552
4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide
CID 119554960
(2R)-1-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]butan-1-one
CID 100662526
N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide
CID 51246951
2-[(4-chlorophenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide
CID 119557382
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]butan-1-one
CID 56512012
1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119556429
4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63628711
1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119556453
1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119556637
4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride
CID 119557355

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-piperidin-3-ylethyl)butanamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-piperidin-3-ylethyl)butanamide (CID 119558598) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-piperidin-3-ylethyl)butanamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-piperidin-3-ylethyl)butanamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-piperidin-3-ylethyl)butanamide is CCC(C(=O)NCCC1CCCNC1)n1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-piperidin-3-ylethyl)butanamide?
The InChIKey is DBKFOSRTSHEAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN6O/c1-2-16(18(26)21-11-9-13-4-3-10-20-12-13)25-23-17(22-24-25)14-5-7-15(19)8-6-14/h5-8,13,16,20H,2-4,9-12H2,1H3,(H,21,26).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-piperidin-3-ylethyl)butanamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-piperidin-3-ylethyl)butanamide has a molecular weight of 376.89 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-piperidin-3-ylethyl)butanamide is sourced from PubChem (CID 119558598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).