1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one

C23H29N5O2 — CID 56577971

IUPAC1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
SMILESO=C(C(c1ccccc1)N1CCCCC1=O)N1CCC(c2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C23H29N5O2/c29-19-8-4-5-13-28(19)20(16-6-2-1-3-7-16)23(30)27-14-11-18(12-15-27)22-24-21(25-26-22)17-9-10-17/h1-3,6-7,17-18,20H,4-5,8-15H2,(H,24,25,26)
InChIKeyJLCZKTXKBHNZQA-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.14
Rot. Bonds5

About 1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one

1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one (PubChem CID 56577971) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
PubChem CID56577971
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
SMILESO=C(C(c1ccccc1)N1CCCCC1=O)N1CCC(c2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C23H29N5O2/c29-19-8-4-5-13-28(19)20(16-6-2-1-3-7-16)23(30)27-14-11-18(12-15-27)22-24-21(25-26-22)17-9-10-17/h1-3,6-7,17-18,20H,4-5,8-15H2,(H,24,25,26)
InChIKeyJLCZKTXKBHNZQA-UHFFFAOYSA-N
XLogP3.14
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638802
1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
CID 119623436
1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56514843
1-[2-(3-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one
CID 75420204
6-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 86798164
6-[(2R)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 99786140
(2-bromophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 163340265
1-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504647
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
CID 119663039
1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 119038037
1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56514828
1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one
CID 56577826

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
The IUPAC name of 1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one (CID 56577971) is 1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one is O=C(C(c1ccccc1)N1CCCCC1=O)N1CCC(c2nc(C3CC3)n[nH]2)CC1.
What is the InChIKey of 1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
The InChIKey is JLCZKTXKBHNZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c29-19-8-4-5-13-28(19)20(16-6-2-1-3-7-16)23(30)27-14-11-18(12-15-27)22-24-21(25-26-22)17-9-10-17/h1-3,6-7,17-18,20H,4-5,8-15H2,(H,24,25,26).
What are the key properties of 1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one has a molecular weight of 407.52 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one is sourced from PubChem (CID 56577971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).