[(2S)-1-benzylpiperidin-2-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone

C21H29N5O2 — CID 97219721

IUPAC[(2S)-1-benzylpiperidin-2-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(CN2CCN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)CC2)no1
InChIInChI=1S/C21H29N5O2/c1-17-22-20(23-28-17)16-24-11-13-25(14-12-24)21(27)19-9-5-6-10-26(19)15-18-7-3-2-4-8-18/h2-4,7-8,19H,5-6,9-16H2,1H3/t19-/m0/s1
InChIKeyHNJCSCJDCOZIKY-IBGZPJMESA-N
MW383.50 g/mol
LogP2.08
Rot. Bonds5

About [(2S)-1-benzylpiperidin-2-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone

[(2S)-1-benzylpiperidin-2-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone (PubChem CID 97219721) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is [(2S)-1-benzylpiperidin-2-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-1-benzylpiperidin-2-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
PubChem CID97219721
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name[(2S)-1-benzylpiperidin-2-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(CN2CCN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)CC2)no1
InChIInChI=1S/C21H29N5O2/c1-17-22-20(23-28-17)16-24-11-13-25(14-12-24)21(27)19-9-5-6-10-26(19)15-18-7-3-2-4-8-18/h2-4,7-8,19H,5-6,9-16H2,1H3/t19-/m0/s1
InChIKeyHNJCSCJDCOZIKY-IBGZPJMESA-N
XLogP2.08
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanone
CID 63846365
[(2S)-1-benzylpyrrolidin-2-yl]-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 95349433
(1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 70781321
[(2S)-1-benzylpyrrolidin-2-yl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 91771469
(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 60578972
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 97277137
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone
CID 119519896
azepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone
CID 95316835
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone;dihydrochloride
CID 119519895
N-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
CID 55986557
3-(3-chlorophenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 56782004

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-benzylpiperidin-2-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [(2S)-1-benzylpiperidin-2-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone (CID 97219721) is [(2S)-1-benzylpiperidin-2-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(2S)-1-benzylpiperidin-2-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [(2S)-1-benzylpiperidin-2-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone is Cc1nc(CN2CCN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)CC2)no1.
What is the InChIKey of [(2S)-1-benzylpiperidin-2-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is HNJCSCJDCOZIKY-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29N5O2/c1-17-22-20(23-28-17)16-24-11-13-25(14-12-24)21(27)19-9-5-6-10-26(19)15-18-7-3-2-4-8-18/h2-4,7-8,19H,5-6,9-16H2,1H3/t19-/m0/s1.
What are the key properties of [(2S)-1-benzylpiperidin-2-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
[(2S)-1-benzylpiperidin-2-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 383.50 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-benzylpiperidin-2-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 97219721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).