N-[3-(4-benzyl-2-methylpiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C20H29N3O2 — CID 75467674

IUPACN-[3-(4-benzyl-2-methylpiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)N1CCN(Cc2ccccc2)CC1C
InChIInChI=1S/C20H29N3O2/c1-15-12-18(15)20(25)21-9-8-19(24)23-11-10-22(13-16(23)2)14-17-6-4-3-5-7-17/h3-7,15-16,18H,8-14H2,1-2H3,(H,21,25)
InChIKeyQFZPDMKCHCEPLE-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.88
Rot. Bonds6

About N-[3-(4-benzyl-2-methylpiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

N-[3-(4-benzyl-2-methylpiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 75467674) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[3-(4-benzyl-2-methylpiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzyl-2-methylpiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID75467674
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[3-(4-benzyl-2-methylpiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)N1CCN(Cc2ccccc2)CC1C
InChIInChI=1S/C20H29N3O2/c1-15-12-18(15)20(25)21-9-8-19(24)23-11-10-22(13-16(23)2)14-17-6-4-3-5-7-17/h3-7,15-16,18H,8-14H2,1-2H3,(H,21,25)
InChIKeyQFZPDMKCHCEPLE-UHFFFAOYSA-N
XLogP1.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one
CID 78042643
[(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-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone
CID 119886406
[(2R)-4-benzyl-2-methylpiperazin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 124840211
1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-one
CID 86944671
ethyl N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]carbamate
CID 110287347
trans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 100853179
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
trans-(1R,2R)-N-[3-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 52525464
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2,2-dimethylpropanamide
CID 37165106

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzyl-2-methylpiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-(4-benzyl-2-methylpiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 75467674) is N-[3-(4-benzyl-2-methylpiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(4-benzyl-2-methylpiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(4-benzyl-2-methylpiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NCCC(=O)N1CCN(Cc2ccccc2)CC1C.
What is the InChIKey of N-[3-(4-benzyl-2-methylpiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is QFZPDMKCHCEPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-12-18(15)20(25)21-9-8-19(24)23-11-10-22(13-16(23)2)14-17-6-4-3-5-7-17/h3-7,15-16,18H,8-14H2,1-2H3,(H,21,25).
What are the key properties of N-[3-(4-benzyl-2-methylpiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
N-[3-(4-benzyl-2-methylpiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzyl-2-methylpiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 75467674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).