N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-2-methoxy-N-phenylacetamide

C24H31N3O2 — CID 126539219

IUPACN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-2-methoxy-N-phenylacetamide
SMILESCOCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C24H31N3O2/c1-29-19-23(28)27(22-10-6-3-7-11-22)20-24(12-13-24)26-16-14-25(15-17-26)18-21-8-4-2-5-9-21/h2-11H,12-20H2,1H3
InChIKeyWPFUJFQBOHAMPJ-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.02
Rot. Bonds8

About N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-2-methoxy-N-phenylacetamide

N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-2-methoxy-N-phenylacetamide (PubChem CID 126539219) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-2-methoxy-N-phenylacetamide.

Molecular Properties

Compound NameN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-2-methoxy-N-phenylacetamide
PubChem CID126539219
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-2-methoxy-N-phenylacetamide
SMILESCOCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C24H31N3O2/c1-29-19-23(28)27(22-10-6-3-7-11-22)20-24(12-13-24)26-16-14-25(15-17-26)18-21-8-4-2-5-9-21/h2-11H,12-20H2,1H3
InChIKeyWPFUJFQBOHAMPJ-UHFFFAOYSA-N
XLogP3.02
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-(Methoxymethyl)-1-(2-phenylethyl)-4-piperidinyl)-N-phenylpropanamide
CID 124716
Ocfentanil
CID 60575
Methoxyacetylfentanyl
CID 968688
N-(2-Fluoro-phenyl)-2-methoxy-N-(3-methyl-1-phenethyl-piperidin-4-yl)-acetamide
CID 13653729
4-Phenyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562375
2-Ethyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562510
Ortho-methyl methoxyacetyl fentanyl
CID 137700051
N-Phenyl-N-(1-(phenylmethyl)-4-piperidinyl)acetamide
CID 71058
2-Methoxy-N-(3-methyl-1-phenethyl-piperidin-4-yl)-N-phenyl-acetamide
CID 13653749
1-(4-Methylphenyl)-4-(morpholin-4-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 9859937
N-(2-(1-benzylpiperidin-4-yl)ethyl)-N-phenylacetamide
CID 10088398
N-(2-(1-benzylpiperidin-4-yl)ethyl)-N-phenylpropionamide
CID 10383261

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-2-methoxy-N-phenylacetamide?
The IUPAC name of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-2-methoxy-N-phenylacetamide (CID 126539219) is N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-2-methoxy-N-phenylacetamide.
What is the SMILES notation for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-2-methoxy-N-phenylacetamide?
The canonical SMILES for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-2-methoxy-N-phenylacetamide is COCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1.
What is the InChIKey of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-2-methoxy-N-phenylacetamide?
The InChIKey is WPFUJFQBOHAMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-29-19-23(28)27(22-10-6-3-7-11-22)20-24(12-13-24)26-16-14-25(15-17-26)18-21-8-4-2-5-9-21/h2-11H,12-20H2,1H3.
What are the key properties of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-2-methoxy-N-phenylacetamide?
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-2-methoxy-N-phenylacetamide has a molecular weight of 393.53 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-2-methoxy-N-phenylacetamide is sourced from PubChem (CID 126539219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).