N-(3-chloro-4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide

C14H16ClN5O — CID 647315

IUPACN-(3-chloro-4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ncn[nH]1
InChIInChI=1S/C14H16ClN5O/c15-11-8-10(18-14(21)13-16-9-17-19-13)4-5-12(11)20-6-2-1-3-7-20/h4-5,8-9H,1-3,6-7H2,(H,18,21)(H,16,17,19)
InChIKeyCRSIWSIMUCOGCU-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.70
Rot. Bonds3

About N-(3-chloro-4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide

N-(3-chloro-4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 647315) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is N-(3-chloro-4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID647315
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC NameN-(3-chloro-4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ncn[nH]1
InChIInChI=1S/C14H16ClN5O/c15-11-8-10(18-14(21)13-16-9-17-19-13)4-5-12(11)20-6-2-1-3-7-20/h4-5,8-9H,1-3,6-7H2,(H,18,21)(H,16,17,19)
InChIKeyCRSIWSIMUCOGCU-UHFFFAOYSA-N
XLogP2.70
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide (CID 647315) is N-(3-chloro-4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide is O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ncn[nH]1.
What is the InChIKey of N-(3-chloro-4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is CRSIWSIMUCOGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c15-11-8-10(18-14(21)13-16-9-17-19-13)4-5-12(11)20-6-2-1-3-7-20/h4-5,8-9H,1-3,6-7H2,(H,18,21)(H,16,17,19).
What are the key properties of N-(3-chloro-4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide?
N-(3-chloro-4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 647315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).