N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-ethoxyphenyl]benzamide

C27H31N3O2 — CID 73347961

IUPACN-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-ethoxyphenyl]benzamide
SMILESCCOc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C27H31N3O2/c1-2-32-26-13-10-23(18-25(26)29-27(31)22-6-4-3-5-7-22)21-14-16-30(17-15-21)19-20-8-11-24(28)12-9-20/h3-13,18,21H,2,14-17,19,28H2,1H3,(H,29,31)
InChIKeyFTEKPBHSOOUJIW-UHFFFAOYSA-N
MW429.56 g/mol
LogP5.30
Rot. Bonds7

About N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-ethoxyphenyl]benzamide

N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-ethoxyphenyl]benzamide (PubChem CID 73347961) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-ethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-ethoxyphenyl]benzamide
PubChem CID73347961
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-ethoxyphenyl]benzamide
SMILESCCOc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C27H31N3O2/c1-2-32-26-13-10-23(18-25(26)29-27(31)22-6-4-3-5-7-22)21-14-16-30(17-15-21)19-20-8-11-24(28)12-9-20/h3-13,18,21H,2,14-17,19,28H2,1H3,(H,29,31)
InChIKeyFTEKPBHSOOUJIW-UHFFFAOYSA-N
XLogP5.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-
CID 3038495
GR-103691
CID 4302960
4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
Benzenepropanamide, 3-((2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl)amino)-N-(2-methoxyphenyl)-beta-oxo-
CID 119780
N-(2-{4-[2-(dimethylamino)ethoxy]phenyl}propan-2-yl)-2-fluoro-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748526
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbenzamide
CID 10939167
4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzamide
CID 53326601
N-(2-methyl-4-{[(4-methylphenoxy)acetyl]amino}phenyl)benzamide
CID 1221794
4-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(4-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1349858
N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}benzamide
CID 13318464
N-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide
CID 24848458
N-(4-amino-4''-methoxybiphenyl-3-yl)benzamide
CID 46887379

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-ethoxyphenyl]benzamide?
The IUPAC name of N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-ethoxyphenyl]benzamide (CID 73347961) is N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-ethoxyphenyl]benzamide.
What is the SMILES notation for N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-ethoxyphenyl]benzamide?
The canonical SMILES for N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-ethoxyphenyl]benzamide is CCOc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-ethoxyphenyl]benzamide?
The InChIKey is FTEKPBHSOOUJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-2-32-26-13-10-23(18-25(26)29-27(31)22-6-4-3-5-7-22)21-14-16-30(17-15-21)19-20-8-11-24(28)12-9-20/h3-13,18,21H,2,14-17,19,28H2,1H3,(H,29,31).
What are the key properties of N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-ethoxyphenyl]benzamide?
N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-ethoxyphenyl]benzamide has a molecular weight of 429.56 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-ethoxyphenyl]benzamide is sourced from PubChem (CID 73347961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).