N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide

C19H27N3O3 — CID 110306324

IUPACN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide
SMILESCC(=O)N1CCN(C(=O)CCNC(=O)CCc2ccc(C)cc2)CC1
InChIInChI=1S/C19H27N3O3/c1-15-3-5-17(6-4-15)7-8-18(24)20-10-9-19(25)22-13-11-21(12-14-22)16(2)23/h3-6H,7-14H2,1-2H3,(H,20,24)
InChIKeyKHJJIWDZNRVGMR-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.12
Rot. Bonds6

About N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide (PubChem CID 110306324) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide
PubChem CID110306324
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide
SMILESCC(=O)N1CCN(C(=O)CCNC(=O)CCc2ccc(C)cc2)CC1
InChIInChI=1S/C19H27N3O3/c1-15-3-5-17(6-4-15)7-8-18(24)20-10-9-19(25)22-13-11-21(12-14-22)16(2)23/h3-6H,7-14H2,1-2H3,(H,20,24)
InChIKeyKHJJIWDZNRVGMR-UHFFFAOYSA-N
XLogP1.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-tert-butylphenyl)propanamide
CID 110626354
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 60610713
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide
CID 110306347
ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 41455579
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 110615118
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 39571083
tert-butyl N-[2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 108532880
1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid
CID 119166509
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110626396
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide
CID 56783474

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide (CID 110306324) is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide is CC(=O)N1CCN(C(=O)CCNC(=O)CCc2ccc(C)cc2)CC1.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide?
The InChIKey is KHJJIWDZNRVGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15-3-5-17(6-4-15)7-8-18(24)20-10-9-19(25)22-13-11-21(12-14-22)16(2)23/h3-6H,7-14H2,1-2H3,(H,20,24).
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide?
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide has a molecular weight of 345.44 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 110306324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).