1-(4-benzylpiperazin-1-yl)-N-(2-phenylmethoxyphenyl)cyclopropane-1-carboxamide

C28H31N3O2 — CID 137390918

IUPAC1-(4-benzylpiperazin-1-yl)-N-(2-phenylmethoxyphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1OCc1ccccc1)C1(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C28H31N3O2/c32-27(29-25-13-7-8-14-26(25)33-22-24-11-5-2-6-12-24)28(15-16-28)31-19-17-30(18-20-31)21-23-9-3-1-4-10-23/h1-14H,15-22H2,(H,29,32)
InChIKeyBUYGEWVDOLNEHU-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.55
Rot. Bonds8

About 1-(4-benzylpiperazin-1-yl)-N-(2-phenylmethoxyphenyl)cyclopropane-1-carboxamide

1-(4-benzylpiperazin-1-yl)-N-(2-phenylmethoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 137390918) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-N-(2-phenylmethoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-N-(2-phenylmethoxyphenyl)cyclopropane-1-carboxamide
PubChem CID137390918
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name1-(4-benzylpiperazin-1-yl)-N-(2-phenylmethoxyphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1OCc1ccccc1)C1(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C28H31N3O2/c32-27(29-25-13-7-8-14-26(25)33-22-24-11-5-2-6-12-24)28(15-16-28)31-19-17-30(18-20-31)21-23-9-3-1-4-10-23/h1-14H,15-22H2,(H,29,32)
InChIKeyBUYGEWVDOLNEHU-UHFFFAOYSA-N
XLogP4.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate
CID 164519909
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
N-(2-phenylmethoxyphenyl)adamantane-1-carboxamide
CID 10784818
1-[1-(4-benzylpiperazin-1-yl)cyclopropyl]-2-(2-methoxyphenyl)ethanone
CID 147602022
2-chloro-N-(2-phenylmethoxyphenyl)acetamide
CID 154832938
3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide
CID 86298919
(4-benzylpiperazin-1-yl)-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 7964644
(4R)-4-hydroxy-4-methyl-N-(2-phenylmethoxyphenyl)azepane-1-carboxamide
CID 125166380
1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 90483788
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-2-(2-phenylmethoxyphenyl)propanamide
CID 126509782
1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 22314798
2-(ethylamino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54820872

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-N-(2-phenylmethoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-N-(2-phenylmethoxyphenyl)cyclopropane-1-carboxamide (CID 137390918) is 1-(4-benzylpiperazin-1-yl)-N-(2-phenylmethoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-N-(2-phenylmethoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-N-(2-phenylmethoxyphenyl)cyclopropane-1-carboxamide is O=C(Nc1ccccc1OCc1ccccc1)C1(N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-N-(2-phenylmethoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is BUYGEWVDOLNEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c32-27(29-25-13-7-8-14-26(25)33-22-24-11-5-2-6-12-24)28(15-16-28)31-19-17-30(18-20-31)21-23-9-3-1-4-10-23/h1-14H,15-22H2,(H,29,32).
What are the key properties of 1-(4-benzylpiperazin-1-yl)-N-(2-phenylmethoxyphenyl)cyclopropane-1-carboxamide?
1-(4-benzylpiperazin-1-yl)-N-(2-phenylmethoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-N-(2-phenylmethoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 137390918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).