(3S)-3-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one

C18H29N5O2 — CID 97343945

IUPAC(3S)-3-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CCC[C@H](N2CCN(Cc3nc(C4CC4)no3)CC2)C1=O
InChIInChI=1S/C18H29N5O2/c1-13(2)23-7-3-4-15(18(23)24)22-10-8-21(9-11-22)12-16-19-17(20-25-16)14-5-6-14/h13-15H,3-12H2,1-2H3/t15-/m0/s1
InChIKeyHNHJIRPZTGJRNJ-HNNXBMFYSA-N
MW347.46 g/mol
LogP1.46
Rot. Bonds5

About (3S)-3-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one

(3S)-3-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one (PubChem CID 97343945) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3S)-3-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
PubChem CID97343945
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(3S)-3-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CCC[C@H](N2CCN(Cc3nc(C4CC4)no3)CC2)C1=O
InChIInChI=1S/C18H29N5O2/c1-13(2)23-7-3-4-15(18(23)24)22-10-8-21(9-11-22)12-16-19-17(20-25-16)14-5-6-14/h13-15H,3-12H2,1-2H3/t15-/m0/s1
InChIKeyHNHJIRPZTGJRNJ-HNNXBMFYSA-N
XLogP1.46
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(3S)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97319550
3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 47022082
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 55216293
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43556639
3-cyclopropyl-5-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 60500807
7-[[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 75468311
N-tert-butyl-2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]acetamide
CID 36617338
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923772
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 56686775
3-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 131943740
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol
CID 115873831
2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 71863184

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one?
The IUPAC name of (3S)-3-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one (CID 97343945) is (3S)-3-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for (3S)-3-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for (3S)-3-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one is CC(C)N1CCC[C@H](N2CCN(Cc3nc(C4CC4)no3)CC2)C1=O.
What is the InChIKey of (3S)-3-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one?
The InChIKey is HNHJIRPZTGJRNJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-13(2)23-7-3-4-15(18(23)24)22-10-8-21(9-11-22)12-16-19-17(20-25-16)14-5-6-14/h13-15H,3-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-3-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one?
(3S)-3-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one has a molecular weight of 347.46 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 97343945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).