4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide

C23H30N4O2 — CID 78871735

IUPAC4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)Nc2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H30N4O2/c1-18-6-4-5-11-27(18)22(28)17-25-12-14-26(15-13-25)23(29)24-21-10-9-19-7-2-3-8-20(19)16-21/h2-3,7-10,16,18H,4-6,11-15,17H2,1H3,(H,24,29)
InChIKeyWPFCGJIIUPGOMM-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.39
Rot. Bonds3

About 4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide

4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide (PubChem CID 78871735) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide
PubChem CID78871735
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)Nc2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H30N4O2/c1-18-6-4-5-11-27(18)22(28)17-25-12-14-26(15-13-25)23(29)24-21-10-9-19-7-2-3-8-20(19)16-21/h2-3,7-10,16,18H,4-6,11-15,17H2,1H3,(H,24,29)
InChIKeyWPFCGJIIUPGOMM-UHFFFAOYSA-N
XLogP3.39
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamido-2-chlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 56583415
N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 55698643
N-(2,4-difluorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 75806651
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 87040579
(2S)-N-[3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 36550487
(2R)-N-[3-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 36550493
2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 37158782
3-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 36548987
1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 55563722
N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 51632067
2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 92987749
2-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 99642062

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide (CID 78871735) is 4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide is CC1CCCCN1C(=O)CN1CCN(C(=O)Nc2ccc3ccccc3c2)CC1.
What is the InChIKey of 4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide?
The InChIKey is WPFCGJIIUPGOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18-6-4-5-11-27(18)22(28)17-25-12-14-26(15-13-25)23(29)24-21-10-9-19-7-2-3-8-20(19)16-21/h2-3,7-10,16,18H,4-6,11-15,17H2,1H3,(H,24,29).
What are the key properties of 4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide?
4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 78871735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).