N-(3-chlorophenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]propanamide

C19H24ClN5O — CID 51122698

IUPACN-(3-chlorophenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1)N1CCC(c2nnc3n2CCC3)CC1
InChIInChI=1S/C19H24ClN5O/c1-13(19(26)21-16-5-2-4-15(20)12-16)24-10-7-14(8-11-24)18-23-22-17-6-3-9-25(17)18/h2,4-5,12-14H,3,6-11H2,1H3,(H,21,26)
InChIKeyTZDZZOUAOYNHFE-UHFFFAOYSA-N
MW373.89 g/mol
LogP3.08
Rot. Bonds4

About N-(3-chlorophenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]propanamide

N-(3-chlorophenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]propanamide (PubChem CID 51122698) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]propanamide
PubChem CID51122698
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC NameN-(3-chlorophenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1)N1CCC(c2nnc3n2CCC3)CC1
InChIInChI=1S/C19H24ClN5O/c1-13(19(26)21-16-5-2-4-15(20)12-16)24-10-7-14(8-11-24)18-23-22-17-6-3-9-25(17)18/h2,4-5,12-14H,3,6-11H2,1H3,(H,21,26)
InChIKeyTZDZZOUAOYNHFE-UHFFFAOYSA-N
XLogP3.08
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 97313518
tert-butyl N-[1-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 55841892
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918800
(2S)-N-(3-chlorophenyl)-2-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
CID 100850691
N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083488
N-(3-chlorophenyl)-2-(4-propanoyl-1,4-diazepan-1-yl)propanamide
CID 87021789
(2R)-N-(3-chlorophenyl)-2-[(2S)-2-methylmorpholin-4-yl]propanamide
CID 51731055
N-(3-chlorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 86908959
(2R)-N-(3-chlorophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7665019
1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 17498457
(2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 98938107
(2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 92987466

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]propanamide (CID 51122698) is N-(3-chlorophenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]propanamide is CC(C(=O)Nc1cccc(Cl)c1)N1CCC(c2nnc3n2CCC3)CC1.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]propanamide?
The InChIKey is TZDZZOUAOYNHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c1-13(19(26)21-16-5-2-4-15(20)12-16)24-10-7-14(8-11-24)18-23-22-17-6-3-9-25(17)18/h2,4-5,12-14H,3,6-11H2,1H3,(H,21,26).
What are the key properties of N-(3-chlorophenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]propanamide?
N-(3-chlorophenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]propanamide has a molecular weight of 373.89 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 51122698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).