[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone

C20H26ClN5O — CID 119622015

IUPAC[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCC(NCC3CC3)CC2)nnn1-c1cccc(Cl)c1
InChIInChI=1S/C20H26ClN5O/c1-2-18-19(23-24-26(18)17-5-3-4-15(21)12-17)20(27)25-10-8-16(9-11-25)22-13-14-6-7-14/h3-5,12,14,16,22H,2,6-11,13H2,1H3
InChIKeyRKHDZNYPYVXGNN-UHFFFAOYSA-N
MW387.92 g/mol
LogP3.09
Rot. Bonds6

About [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone

[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (PubChem CID 119622015) has the molecular formula C20H26ClN5O and a molecular weight of 387.92 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
PubChem CID119622015
Molecular FormulaC20H26ClN5O
Molecular Weight387.92 g/mol
Exact Mass387.18
IUPAC Name[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCC(NCC3CC3)CC2)nnn1-c1cccc(Cl)c1
InChIInChI=1S/C20H26ClN5O/c1-2-18-19(23-24-26(18)17-5-3-4-15(21)12-17)20(27)25-10-8-16(9-11-25)22-13-14-6-7-14/h3-5,12,14,16,22H,2,6-11,13H2,1H3
InChIKeyRKHDZNYPYVXGNN-UHFFFAOYSA-N
XLogP3.09
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.92
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119645711
[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395236
(3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide
CID 95179936
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539873
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489805
[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone
CID 119622999
1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119424738
cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675762
1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119424737
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 81487303
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-5-propyltriazol-4-yl]methanone;hydrochloride
CID 119594219
1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119754

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (CID 119622015) is [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is CCc1c(C(=O)N2CCC(NCC3CC3)CC2)nnn1-c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The InChIKey is RKHDZNYPYVXGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O/c1-2-18-19(23-24-26(18)17-5-3-4-15(21)12-17)20(27)25-10-8-16(9-11-25)22-13-14-6-7-14/h3-5,12,14,16,22H,2,6-11,13H2,1H3.
What are the key properties of [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone has a molecular weight of 387.92 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119622015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).