N-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide

C20H29N3O2 — CID 136518534

IUPACN-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)NC2CCCN(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C20H29N3O2/c1-16-9-12-22(13-10-16)15-19(24)21-18-8-5-11-23(20(18)25)14-17-6-3-2-4-7-17/h2-4,6-7,16,18H,5,8-15H2,1H3,(H,21,24)
InChIKeyHOLCJIBYHMXRNP-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.03
Rot. Bonds5

About N-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide

N-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 136518534) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID136518534
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)NC2CCCN(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C20H29N3O2/c1-16-9-12-22(13-10-16)15-19(24)21-18-8-5-11-23(20(18)25)14-17-6-3-2-4-7-17/h2-4,6-7,16,18H,5,8-15H2,1H3,(H,21,24)
InChIKeyHOLCJIBYHMXRNP-UHFFFAOYSA-N
XLogP2.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzyl-3-(methylamino)azepan-2-one
CID 58168871
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CID 59872516
N-(1-benzyl-2-oxopiperidin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 84592310
N,N'-bis[1-[(4-aminophenyl)methyl]-2-oxopiperidin-3-yl]hexanediamide
CID 11226606
2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119757803
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8902763
2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977235
N-(1-benzyl-2-oxoazepan-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide
CID 10225419
N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119757834
(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide
CID 119308609
2-(4-benzylpiperazin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2409448
2-(4-benzylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4268448

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide (CID 136518534) is N-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide is CC1CCN(CC(=O)NC2CCCN(Cc3ccccc3)C2=O)CC1.
What is the InChIKey of N-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is HOLCJIBYHMXRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16-9-12-22(13-10-16)15-19(24)21-18-8-5-11-23(20(18)25)14-17-6-3-2-4-7-17/h2-4,6-7,16,18H,5,8-15H2,1H3,(H,21,24).
What are the key properties of N-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide?
N-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 343.47 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 136518534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).