N-(4-acetamido-2-chlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide

C21H30ClN5O3 — CID 56583415

IUPACN-(4-acetamido-2-chlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)c(Cl)c1
InChIInChI=1S/C21H30ClN5O3/c1-15-5-3-4-8-27(15)20(29)14-25-9-11-26(12-10-25)21(30)24-19-7-6-17(13-18(19)22)23-16(2)28/h6-7,13,15H,3-5,8-12,14H2,1-2H3,(H,23,28)(H,24,30)
InChIKeyZFPKOBMAMVSUSZ-UHFFFAOYSA-N
MW435.96 g/mol
LogP2.85
Rot. Bonds4

About N-(4-acetamido-2-chlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide

N-(4-acetamido-2-chlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide (PubChem CID 56583415) has the molecular formula C21H30ClN5O3 and a molecular weight of 435.96 g/mol. Its IUPAC name is N-(4-acetamido-2-chlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-2-chlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
PubChem CID56583415
Molecular FormulaC21H30ClN5O3
Molecular Weight435.96 g/mol
Exact Mass435.20
IUPAC NameN-(4-acetamido-2-chlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)c(Cl)c1
InChIInChI=1S/C21H30ClN5O3/c1-15-5-3-4-8-27(15)20(29)14-25-9-11-26(12-10-25)21(30)24-19-7-6-17(13-18(19)22)23-16(2)28/h6-7,13,15H,3-5,8-12,14H2,1-2H3,(H,23,28)(H,24,30)
InChIKeyZFPKOBMAMVSUSZ-UHFFFAOYSA-N
XLogP2.85
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 78871735
N-(2,4-difluorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 75806651
N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 55698643
(2S,5S)-N-(4-acetamido-2-chlorophenyl)-2,5-dimethylpyrrolidine-1-carboxamide
CID 129382087
(E)-3-(2,3-dichlorophenyl)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]prop-2-en-1-one
CID 55564539
2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 133351714
(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-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride
CID 99079641
N-(2-chlorophenyl)-4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 51250491
2-[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 55563969
N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 24537530

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2-chlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-acetamido-2-chlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide (CID 56583415) is N-(4-acetamido-2-chlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetamido-2-chlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-acetamido-2-chlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide is CC(=O)Nc1ccc(NC(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)c(Cl)c1.
What is the InChIKey of N-(4-acetamido-2-chlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide?
The InChIKey is ZFPKOBMAMVSUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN5O3/c1-15-5-3-4-8-27(15)20(29)14-25-9-11-26(12-10-25)21(30)24-19-7-6-17(13-18(19)22)23-16(2)28/h6-7,13,15H,3-5,8-12,14H2,1-2H3,(H,23,28)(H,24,30).
What are the key properties of N-(4-acetamido-2-chlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide?
N-(4-acetamido-2-chlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2-chlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide is sourced from PubChem (CID 56583415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).