N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide

C27H37N3O2 — CID 25377416

IUPACN-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
SMILESCN1CCC[C@@H](CNC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C1
InChIInChI=1S/C27H37N3O2/c1-29-16-5-8-23(21-29)20-28-27(31)24-9-11-25(12-10-24)32-26-14-18-30(19-15-26)17-13-22-6-3-2-4-7-22/h2-4,6-7,9-12,23,26H,5,8,13-21H2,1H3,(H,28,31)/t23-/m0/s1
InChIKeyVMUDLOLXOOXCAA-QHCPKHFHSA-N
MW435.61 g/mol
LogP3.84
Rot. Bonds8

About N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide

N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide (PubChem CID 25377416) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
PubChem CID25377416
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC NameN-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
SMILESCN1CCC[C@@H](CNC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C1
InChIInChI=1S/C27H37N3O2/c1-29-16-5-8-23(21-29)20-28-27(31)24-9-11-25(12-10-24)32-26-14-18-30(19-15-26)17-13-22-6-3-2-4-7-22/h2-4,6-7,9-12,23,26H,5,8,13-21H2,1H3,(H,28,31)/t23-/m0/s1
InChIKeyVMUDLOLXOOXCAA-QHCPKHFHSA-N
XLogP3.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.61
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 45196587
4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide
CID 25366070
[3-(methoxymethyl)piperidin-1-yl]-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone
CID 45244683
N-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 45207748
N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 26328291
N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 25301725
N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide
CID 42527447
1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone
CID 26326622
N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
CID 75369445
N-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 97284497
N-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide
CID 25281267
methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate
CID 25385977

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide (CID 25377416) is N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide is CN1CCC[C@@H](CNC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)C1.
What is the InChIKey of N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is VMUDLOLXOOXCAA-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-29-16-5-8-23(21-29)20-28-27(31)24-9-11-25(12-10-24)32-26-14-18-30(19-15-26)17-13-22-6-3-2-4-7-22/h2-4,6-7,9-12,23,26H,5,8,13-21H2,1H3,(H,28,31)/t23-/m0/s1.
What are the key properties of N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide?
N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 435.61 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 25377416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).