1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone

C19H29N3O — CID 119886406

IUPAC1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone
SMILESC[C@@H]1CN(Cc2ccccc2)CCN1C(=O)CC1CCNCC1
InChIInChI=1S/C19H29N3O/c1-16-14-21(15-18-5-3-2-4-6-18)11-12-22(16)19(23)13-17-7-9-20-10-8-17/h2-6,16-17,20H,7-15H2,1H3/t16-/m1/s1
InChIKeySUJDMKHZEUYYGK-MRXNPFEDSA-N
MW315.46 g/mol
LogP2.11
Rot. Bonds4

About 1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone

1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone (PubChem CID 119886406) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone
PubChem CID119886406
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone
SMILESC[C@@H]1CN(Cc2ccccc2)CCN1C(=O)CC1CCNCC1
InChIInChI=1S/C19H29N3O/c1-16-14-21(15-18-5-3-2-4-6-18)11-12-22(16)19(23)13-17-7-9-20-10-8-17/h2-6,16-17,20H,7-15H2,1H3/t16-/m1/s1
InChIKeySUJDMKHZEUYYGK-MRXNPFEDSA-N
XLogP2.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 167811788
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222
(4-benzyl-2-methylpiperazin-1-yl)-phenylmethanone
CID 10708948
3-amino-1-(4-benzyl-2-methylpiperazin-1-yl)butan-1-one
CID 119884612
1-[2-tert-butyl-4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-2-piperidin-4-ylethanone;ethane
CID 142219763
1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one
CID 78042643
1-[2-tert-butyl-4-[(4-chloro-3-methylphenyl)methyl]piperazin-1-yl]-2-piperidin-4-ylethanone
CID 142235607
(4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 169115361
N-[3-(4-benzyl-2-methylpiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 75467674
1-[4-[(5-chloro-2-hydroxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-phenylethanone
CID 77185796
3-[[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]methyl]benzoic acid
CID 122029240
1-(2,4-dimethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone
CID 115740592

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone?
The IUPAC name of 1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone (CID 119886406) is 1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone?
The canonical SMILES for 1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone is C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)CC1CCNCC1.
What is the InChIKey of 1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone?
The InChIKey is SUJDMKHZEUYYGK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O/c1-16-14-21(15-18-5-3-2-4-6-18)11-12-22(16)19(23)13-17-7-9-20-10-8-17/h2-6,16-17,20H,7-15H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone?
1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone has a molecular weight of 315.46 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone is sourced from PubChem (CID 119886406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).