N-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide

C28H39N3O4 — CID 45355062

IUPACN-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)N(Cc3ccccc3)C(C)C3CC3)CC2)c(OC)c1OC
InChIInChI=1S/C28H39N3O4/c1-21(23-10-11-23)31(18-22-8-6-5-7-9-22)26(32)20-30-16-14-29(15-17-30)19-24-12-13-25(33-2)28(35-4)27(24)34-3/h5-9,12-13,21,23H,10-11,14-20H2,1-4H3
InChIKeyNHGLKTSCIAUORV-UHFFFAOYSA-N
MW481.64 g/mol
LogP3.66
Rot. Bonds11

About N-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide

N-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 45355062) has the molecular formula C28H39N3O4 and a molecular weight of 481.64 g/mol. Its IUPAC name is N-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID45355062
Molecular FormulaC28H39N3O4
Molecular Weight481.64 g/mol
Exact Mass481.29
IUPAC NameN-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)N(Cc3ccccc3)C(C)C3CC3)CC2)c(OC)c1OC
InChIInChI=1S/C28H39N3O4/c1-21(23-10-11-23)31(18-22-8-6-5-7-9-22)26(32)20-30-16-14-29(15-17-30)19-24-12-13-25(33-2)28(35-4)27(24)34-3/h5-9,12-13,21,23H,10-11,14-20H2,1-4H3
InChIKeyNHGLKTSCIAUORV-UHFFFAOYSA-N
XLogP3.66
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.64
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide with MolForge

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Related Compounds

N-benzyl-N-ethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 649006
2-[4-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 42923905
N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 46055000
N-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 4255296
(2S)-N-benzyl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9127696
N-benzyl-N-(1-cyclopropylethyl)-4-hydroxypentanamide
CID 79200111
1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148359
phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148101
1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
CID 9071450
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 2880183
1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17366796
N-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9127737

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide (CID 45355062) is N-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide is COc1ccc(CN2CCN(CC(=O)N(Cc3ccccc3)C(C)C3CC3)CC2)c(OC)c1OC.
What is the InChIKey of N-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is NHGLKTSCIAUORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O4/c1-21(23-10-11-23)31(18-22-8-6-5-7-9-22)26(32)20-30-16-14-29(15-17-30)19-24-12-13-25(33-2)28(35-4)27(24)34-3/h5-9,12-13,21,23H,10-11,14-20H2,1-4H3.
What are the key properties of N-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
N-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 481.64 g/mol, XLogP of 3.66, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 45355062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).