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

C26H29N3O2 — CID 73347956

IUPACN-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide
SMILESCOc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C26H29N3O2/c1-31-25-12-9-22(17-24(25)28-26(30)21-5-3-2-4-6-21)20-13-15-29(16-14-20)18-19-7-10-23(27)11-8-19/h2-12,17,20H,13-16,18,27H2,1H3,(H,28,30)
InChIKeyPKMRXANSPAEPRV-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.91
Rot. Bonds6

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

N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide (PubChem CID 73347956) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide
PubChem CID73347956
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide
SMILESCOc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C26H29N3O2/c1-31-25-12-9-22(17-24(25)28-26(30)21-5-3-2-4-6-21)20-13-15-29(16-14-20)18-19-7-10-23(27)11-8-19/h2-12,17,20H,13-16,18,27H2,1H3,(H,28,30)
InChIKeyPKMRXANSPAEPRV-UHFFFAOYSA-N
XLogP4.91
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.91
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

Encainide
CID 48041
2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-
CID 3038495
Encainide Hydrochloride
CID 48040
BP-897
CID 3038494
GR-103691
CID 4302960
N-(1,1-Dimethylethyl)-4-(2-methoxyphenyl)-alpha-phenyl-1-piperazinepropanamide
CID 115111
(2S)-N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
CID 6604840
4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 2862625
4-amino-N-(2-methoxyphenyl)benzamide
CID 2317363
4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide
CID 127045675
N-(2-methoxyphenyl)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]diselanyl]benzamide
CID 13673587

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide?
The IUPAC name of N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide (CID 73347956) is N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide.
What is the SMILES notation for N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide?
The canonical SMILES for N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide is COc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide?
The InChIKey is PKMRXANSPAEPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-31-25-12-9-22(17-24(25)28-26(30)21-5-3-2-4-6-21)20-13-15-29(16-14-20)18-19-7-10-23(27)11-8-19/h2-12,17,20H,13-16,18,27H2,1H3,(H,28,30).
What are the key properties of N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide?
N-[5-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-2-methoxyphenyl]benzamide has a molecular weight of 415.54 g/mol, XLogP of 4.91, 6 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-methoxyphenyl]benzamide is sourced from PubChem (CID 73347956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).