4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide

C21H26N2O2 — CID 110894921

IUPAC4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(CO)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(22-21(25)23-13-11-17(15-24)12-14-23)18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-10,16-17,24H,11-15H2,1H3,(H,22,25)
InChIKeyRIOWGVFXACGDIR-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.83
Rot. Bonds4

About 4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide

4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 110894921) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide
PubChem CID110894921
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(CO)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(22-21(25)23-13-11-17(15-24)12-14-23)18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-10,16-17,24H,11-15H2,1H3,(H,22,25)
InChIKeyRIOWGVFXACGDIR-UHFFFAOYSA-N
XLogP3.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hydroxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896098
4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 111486727
3-(hydroxymethyl)-N-(1-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 111443508
4-(hydroxymethyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide
CID 126769370
4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896259
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 75810047
4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide
CID 111123444
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928
4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
CID 122570435
N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901455

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide (CID 110894921) is 4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide is CC(NC(=O)N1CCC(CO)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is RIOWGVFXACGDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(22-21(25)23-13-11-17(15-24)12-14-23)18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-10,16-17,24H,11-15H2,1H3,(H,22,25).
What are the key properties of 4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide?
4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 110894921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).