N-[[2-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]propanamide

C23H28N2O3 — CID 121497725

IUPACN-[[2-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccccc1-c1cccc(C(=O)N2CCCCC2CO)c1
InChIInChI=1S/C23H28N2O3/c1-2-22(27)24-15-19-8-3-4-12-21(19)17-9-7-10-18(14-17)23(28)25-13-6-5-11-20(25)16-26/h3-4,7-10,12,14,20,26H,2,5-6,11,13,15-16H2,1H3,(H,24,27)
InChIKeyNWFYWHXMADGRTQ-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.37
Rot. Bonds6

About N-[[2-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]propanamide

N-[[2-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]propanamide (PubChem CID 121497725) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[2-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]propanamide
PubChem CID121497725
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[[2-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccccc1-c1cccc(C(=O)N2CCCCC2CO)c1
InChIInChI=1S/C23H28N2O3/c1-2-22(27)24-15-19-8-3-4-12-21(19)17-9-7-10-18(14-17)23(28)25-13-6-5-11-20(25)16-26/h3-4,7-10,12,14,20,26H,2,5-6,11,13,15-16H2,1H3,(H,24,27)
InChIKeyNWFYWHXMADGRTQ-UHFFFAOYSA-N
XLogP3.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenoxy]-N-methylacetamide
CID 126437358
3-[2-(hydroxymethyl)azepane-1-carbonyl]benzoic acid
CID 116635788
(3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421627
3-[2-(hydroxymethyl)piperidine-1-carbonyl]benzenecarbothioamide
CID 61407355
(2-ethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636551
[3-(aminomethyl)phenyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633838
N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 66262101
N-[[2-[4-(1-piperidin-1-ylethyl)phenyl]phenyl]methyl]propanamide
CID 72839201
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 79027798
2-fluoro-6-[3-[(2S)-2-propylpyrrolidine-1-carbonyl]phenyl]benzamide
CID 126434887
[2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(8-methoxyquinolin-5-yl)phenyl]methanone
CID 156608724
3-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055463

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]propanamide?
The IUPAC name of N-[[2-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]propanamide (CID 121497725) is N-[[2-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]propanamide.
What is the SMILES notation for N-[[2-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]propanamide?
The canonical SMILES for N-[[2-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]propanamide is CCC(=O)NCc1ccccc1-c1cccc(C(=O)N2CCCCC2CO)c1.
What is the InChIKey of N-[[2-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]propanamide?
The InChIKey is NWFYWHXMADGRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-22(27)24-15-19-8-3-4-12-21(19)17-9-7-10-18(14-17)23(28)25-13-6-5-11-20(25)16-26/h3-4,7-10,12,14,20,26H,2,5-6,11,13,15-16H2,1H3,(H,24,27).
What are the key properties of N-[[2-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]propanamide?
N-[[2-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]propanamide has a molecular weight of 380.49 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]propanamide is sourced from PubChem (CID 121497725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).