1-[(1-butyltetrazol-5-yl)methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

C17H24ClN7O — CID 55995286

IUPAC1-[(1-butyltetrazol-5-yl)methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESCCCCn1nnnc1CN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C17H24ClN7O/c1-2-3-9-25-16(21-22-23-25)12-24-8-4-5-13(11-24)17(26)20-15-7-6-14(18)10-19-15/h6-7,10,13H,2-5,8-9,11-12H2,1H3,(H,19,20,26)
InChIKeyUQACDMWVSPSQAB-UHFFFAOYSA-N
MW377.88 g/mol
LogP2.37
Rot. Bonds7

About 1-[(1-butyltetrazol-5-yl)methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

1-[(1-butyltetrazol-5-yl)methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55995286) has the molecular formula C17H24ClN7O and a molecular weight of 377.88 g/mol. Its IUPAC name is 1-[(1-butyltetrazol-5-yl)methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(1-butyltetrazol-5-yl)methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55995286
Molecular FormulaC17H24ClN7O
Molecular Weight377.88 g/mol
Exact Mass377.17
IUPAC Name1-[(1-butyltetrazol-5-yl)methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESCCCCn1nnnc1CN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C17H24ClN7O/c1-2-3-9-25-16(21-22-23-25)12-24-8-4-5-13(11-24)17(26)20-15-7-6-14(18)10-19-15/h6-7,10,13H,2-5,8-9,11-12H2,1H3,(H,19,20,26)
InChIKeyUQACDMWVSPSQAB-UHFFFAOYSA-N
XLogP2.37
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 55816155
(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95282049
N-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide
CID 55860839
N-(5-chloro-2-pyridinyl)-1-[(4-sulfanylidene-1,2,3-benzotriazin-3-yl)methyl]piperidine-3-carboxamide
CID 55861104
methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate
CID 55816186
N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
CID 55994508
(3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 95339286
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
N-(5-chloro-2-pyridinyl)-1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47049305
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55995028
1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 56525502

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butyltetrazol-5-yl)methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(1-butyltetrazol-5-yl)methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (CID 55995286) is 1-[(1-butyltetrazol-5-yl)methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(1-butyltetrazol-5-yl)methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(1-butyltetrazol-5-yl)methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is CCCCn1nnnc1CN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1.
What is the InChIKey of 1-[(1-butyltetrazol-5-yl)methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is UQACDMWVSPSQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN7O/c1-2-3-9-25-16(21-22-23-25)12-24-8-4-5-13(11-24)17(26)20-15-7-6-14(18)10-19-15/h6-7,10,13H,2-5,8-9,11-12H2,1H3,(H,19,20,26).
What are the key properties of 1-[(1-butyltetrazol-5-yl)methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
1-[(1-butyltetrazol-5-yl)methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 377.88 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butyltetrazol-5-yl)methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55995286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).