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

C24H32N2O3 — CID 97284497

IUPACN-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
SMILESC[C@H](O)CN(C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N2O3/c1-19(27)18-25(2)24(28)21-8-10-22(11-9-21)29-23-13-16-26(17-14-23)15-12-20-6-4-3-5-7-20/h3-11,19,23,27H,12-18H2,1-2H3/t19-/m0/s1
InChIKeyUXGJOTHFHOOJDQ-IBGZPJMESA-N
MW396.53 g/mol
LogP3.23
Rot. Bonds8

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

N-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide (PubChem CID 97284497) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
PubChem CID97284497
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
SMILESC[C@H](O)CN(C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N2O3/c1-19(27)18-25(2)24(28)21-8-10-22(11-9-21)29-23-13-16-26(17-14-23)15-12-20-6-4-3-5-7-20/h3-11,19,23,27H,12-18H2,1-2H3/t19-/m0/s1
InChIKeyUXGJOTHFHOOJDQ-IBGZPJMESA-N
XLogP3.23
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 26328291
4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide
CID 25366070
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
4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enyl-N-prop-2-ynylbenzamide
CID 28739164
1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone
CID 26326622
N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 25377416
N-[(2S)-2-hydroxy-2-phenylethyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-methylbenzamide
CID 42190525
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 24817526
[3-(methoxymethyl)piperidin-1-yl]-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone
CID 45244683

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide (CID 97284497) is N-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide is C[C@H](O)CN(C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is UXGJOTHFHOOJDQ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32N2O3/c1-19(27)18-25(2)24(28)21-8-10-22(11-9-21)29-23-13-16-26(17-14-23)15-12-20-6-4-3-5-7-20/h3-11,19,23,27H,12-18H2,1-2H3/t19-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide?
N-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 396.53 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 97284497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).