[1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone

C19H24ClN5O — CID 42319702

IUPAC[1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cn([C@@H]2CCCN(Cc3ccccc3Cl)C2)nn1)N1CCCC1
InChIInChI=1S/C19H24ClN5O/c20-17-8-2-1-6-15(17)12-23-9-5-7-16(13-23)25-14-18(21-22-25)19(26)24-10-3-4-11-24/h1-2,6,8,14,16H,3-5,7,9-13H2/t16-/m1/s1
InChIKeyXEJSGNOGNJVQNP-MRXNPFEDSA-N
MW373.89 g/mol
LogP3.00
Rot. Bonds4

About [1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone

[1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42319702) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is [1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID42319702
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name[1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cn([C@@H]2CCCN(Cc3ccccc3Cl)C2)nn1)N1CCCC1
InChIInChI=1S/C19H24ClN5O/c20-17-8-2-1-6-15(17)12-23-9-5-7-16(13-23)25-14-18(21-22-25)19(26)24-10-3-4-11-24/h1-2,6,8,14,16H,3-5,7,9-13H2/t16-/m1/s1
InChIKeyXEJSGNOGNJVQNP-MRXNPFEDSA-N
XLogP3.00
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 45165944
piperidin-1-yl-[1-[1-(pyridin-2-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone
CID 45167027
morpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone
CID 45249044
[1-[(3S)-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42247558
[1-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 45240301
[1-[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42168076
[1-[1-(3-phenylprop-2-enyl)piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 74780580
piperidin-1-yl-[1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone
CID 45166683
[1-[1-(3-phenylpropyl)piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 45216946
[1-[(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 26351120
[1-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42272938
N,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45213295

Frequently Asked Questions

What is the IUPAC name of [1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone (CID 42319702) is [1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1cn([C@@H]2CCCN(Cc3ccccc3Cl)C2)nn1)N1CCCC1.
What is the InChIKey of [1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is XEJSGNOGNJVQNP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24ClN5O/c20-17-8-2-1-6-15(17)12-23-9-5-7-16(13-23)25-14-18(21-22-25)19(26)24-10-3-4-11-24/h1-2,6,8,14,16H,3-5,7,9-13H2/t16-/m1/s1.
What are the key properties of [1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone?
[1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 373.89 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42319702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).