1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)pentan-1-one

C24H28ClN5O — CID 142781615

IUPAC1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)pentan-1-one
SMILESCCC(C)C(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C24H28ClN5O/c1-3-17(2)22(30-27-23(26-28-30)20-7-5-4-6-8-20)24(31)29-15-13-19(14-16-29)18-9-11-21(25)12-10-18/h4-12,17,19,22H,3,13-16H2,1-2H3
InChIKeySAVVVLOWWAQVGA-UHFFFAOYSA-N
MW437.98 g/mol
LogP4.99
Rot. Bonds6

About 1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)pentan-1-one

1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)pentan-1-one (PubChem CID 142781615) has the molecular formula C24H28ClN5O and a molecular weight of 437.98 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)pentan-1-one.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)pentan-1-one
PubChem CID142781615
Molecular FormulaC24H28ClN5O
Molecular Weight437.98 g/mol
Exact Mass437.20
IUPAC Name1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)pentan-1-one
SMILESCCC(C)C(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C24H28ClN5O/c1-3-17(2)22(30-27-23(26-28-30)20-7-5-4-6-8-20)24(31)29-15-13-19(14-16-29)18-9-11-21(25)12-10-18/h4-12,17,19,22H,3,13-16H2,1-2H3
InChIKeySAVVVLOWWAQVGA-UHFFFAOYSA-N
XLogP4.99
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 119644614
1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 111470117
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 119517161
(2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 67299766
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 119661883
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenylacetamide
CID 76725466
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 119413579
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 119487364
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]butan-1-one
CID 56512012
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)butan-1-one
CID 112809604
N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide
CID 51246951
1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 84602533

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)pentan-1-one?
The IUPAC name of 1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)pentan-1-one (CID 142781615) is 1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)pentan-1-one.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)pentan-1-one?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)pentan-1-one is CCC(C)C(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)pentan-1-one?
The InChIKey is SAVVVLOWWAQVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O/c1-3-17(2)22(30-27-23(26-28-30)20-7-5-4-6-8-20)24(31)29-15-13-19(14-16-29)18-9-11-21(25)12-10-18/h4-12,17,19,22H,3,13-16H2,1-2H3.
What are the key properties of 1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)pentan-1-one?
1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)pentan-1-one has a molecular weight of 437.98 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)pentan-1-one is sourced from PubChem (CID 142781615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).