(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone

C17H25N3O — CID 119915515

IUPAC(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
SMILESO=C(C1CCCN(Cc2ccccc2)C1)N1CCNCC1
InChIInChI=1S/C17H25N3O/c21-17(20-11-8-18-9-12-20)16-7-4-10-19(14-16)13-15-5-2-1-3-6-15/h1-3,5-6,16,18H,4,7-14H2
InChIKeyBOTUNKUSWZSPHW-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.33
Rot. Bonds3

About (1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone

(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone (PubChem CID 119915515) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
PubChem CID119915515
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
SMILESO=C(C1CCCN(Cc2ccccc2)C1)N1CCNCC1
InChIInChI=1S/C17H25N3O/c21-17(20-11-8-18-9-12-20)16-7-4-10-19(14-16)13-15-5-2-1-3-6-15/h1-3,5-6,16,18H,4,7-14H2
InChIKeyBOTUNKUSWZSPHW-UHFFFAOYSA-N
XLogP1.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one
CID 56821816
(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93491661
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
1,4-diazepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone;dihydrochloride
CID 119418013
(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778099
[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836012
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119418627
[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836030
1-benzyl-N-piperidin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119389750

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone (CID 119915515) is (1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone is O=C(C1CCCN(Cc2ccccc2)C1)N1CCNCC1.
What is the InChIKey of (1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone?
The InChIKey is BOTUNKUSWZSPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(20-11-8-18-9-12-20)16-7-4-10-19(14-16)13-15-5-2-1-3-6-15/h1-3,5-6,16,18H,4,7-14H2.
What are the key properties of (1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone?
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone has a molecular weight of 287.41 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 119915515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).