4-[4-(2-methoxyethylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide

C23H31N3O2 — CID 45235166

IUPAC4-[4-(2-methoxyethylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide
SMILESCOCCNC1CCN(c2ccc(C(=O)NC(C)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H31N3O2/c1-18(19-6-4-3-5-7-19)25-23(27)20-8-10-22(11-9-20)26-15-12-21(13-16-26)24-14-17-28-2/h3-11,18,21,24H,12-17H2,1-2H3,(H,25,27)
InChIKeyLSZXRKGOHVLDSG-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.38
Rot. Bonds8

About 4-[4-(2-methoxyethylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide

4-[4-(2-methoxyethylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide (PubChem CID 45235166) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-[4-(2-methoxyethylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[4-(2-methoxyethylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide
PubChem CID45235166
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-[4-(2-methoxyethylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide
SMILESCOCCNC1CCN(c2ccc(C(=O)NC(C)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H31N3O2/c1-18(19-6-4-3-5-7-19)25-23(27)20-8-10-22(11-9-20)26-15-12-21(13-16-26)24-14-17-28-2/h3-11,18,21,24H,12-17H2,1-2H3,(H,25,27)
InChIKeyLSZXRKGOHVLDSG-UHFFFAOYSA-N
XLogP3.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 125169678
N-[(1R)-1-phenylethyl]-4-[4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]benzamide
CID 26345013
2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 93290973
N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 43910482
N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-phenylbenzamide
CID 125042587
ethyl 4-[4-[4-(2-phenylpropylamino)piperidin-1-yl]benzoyl]piperazine-1-carboxylate
CID 45174868
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988
4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-(1-phenylethyl)benzamide
CID 50845883
3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93290995
N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-nitrobenzamide
CID 99994784
(2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid
CID 119367760

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[4-(2-methoxyethylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide (CID 45235166) is 4-[4-(2-methoxyethylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[4-(2-methoxyethylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[4-(2-methoxyethylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide is COCCNC1CCN(c2ccc(C(=O)NC(C)c3ccccc3)cc2)CC1.
What is the InChIKey of 4-[4-(2-methoxyethylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide?
The InChIKey is LSZXRKGOHVLDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-18(19-6-4-3-5-7-19)25-23(27)20-8-10-22(11-9-20)26-15-12-21(13-16-26)24-14-17-28-2/h3-11,18,21,24H,12-17H2,1-2H3,(H,25,27).
What are the key properties of 4-[4-(2-methoxyethylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide?
4-[4-(2-methoxyethylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide has a molecular weight of 381.52 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 45235166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).