N-[cyclopentyl-(2-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C21H29ClFN5O — CID 119815699

IUPACN-[cyclopentyl-(2-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(c2ccccc2F)C2CCCC2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C21H28FN5O.ClH/c1-14-19(25-26-27(14)16-10-12-23-13-11-16)21(28)24-20(15-6-2-3-7-15)17-8-4-5-9-18(17)22;/h4-5,8-9,15-16,20,23H,2-3,6-7,10-13H2,1H3,(H,24,28);1H
InChIKeyXXDPZKVHMOYDRY-UHFFFAOYSA-N
MW421.95 g/mol
LogP3.73
Rot. Bonds5

About N-[cyclopentyl-(2-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[cyclopentyl-(2-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119815699) has the molecular formula C21H29ClFN5O and a molecular weight of 421.95 g/mol. Its IUPAC name is N-[cyclopentyl-(2-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[cyclopentyl-(2-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119815699
Molecular FormulaC21H29ClFN5O
Molecular Weight421.95 g/mol
Exact Mass421.20
IUPAC NameN-[cyclopentyl-(2-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(c2ccccc2F)C2CCCC2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C21H28FN5O.ClH/c1-14-19(25-26-27(14)16-10-12-23-13-11-16)21(28)24-20(15-6-2-3-7-15)17-8-4-5-9-18(17)22;/h4-5,8-9,15-16,20,23H,2-3,6-7,10-13H2,1H3,(H,24,28);1H
InChIKeyXXDPZKVHMOYDRY-UHFFFAOYSA-N
XLogP3.73
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(2-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[cyclopentyl-(2-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119815699) is N-[cyclopentyl-(2-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[cyclopentyl-(2-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[cyclopentyl-(2-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NC(c2ccccc2F)C2CCCC2)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-[cyclopentyl-(2-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is XXDPZKVHMOYDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN5O.ClH/c1-14-19(25-26-27(14)16-10-12-23-13-11-16)21(28)24-20(15-6-2-3-7-15)17-8-4-5-9-18(17)22;/h4-5,8-9,15-16,20,23H,2-3,6-7,10-13H2,1H3,(H,24,28);1H.
What are the key properties of N-[cyclopentyl-(2-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[cyclopentyl-(2-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 421.95 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(2-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119815699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).