3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide

C16H24N2O2 — CID 107218375

IUPAC3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCCC1(C(=O)NCc2cccc(CO)c2)CCCNC1
InChIInChI=1S/C16H24N2O2/c1-2-16(7-4-8-17-12-16)15(20)18-10-13-5-3-6-14(9-13)11-19/h3,5-6,9,17,19H,2,4,7-8,10-12H2,1H3,(H,18,20)
InChIKeyLWWSPVLFZMRMKJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.57
Rot. Bonds5

About 3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide

3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 107218375) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID107218375
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCCC1(C(=O)NCc2cccc(CO)c2)CCCNC1
InChIInChI=1S/C16H24N2O2/c1-2-16(7-4-8-17-12-16)15(20)18-10-13-5-3-6-14(9-13)11-19/h3,5-6,9,17,19H,2,4,7-8,10-12H2,1H3,(H,18,20)
InChIKeyLWWSPVLFZMRMKJ-UHFFFAOYSA-N
XLogP1.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide
CID 63135121
3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 55165134
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
CID 107231254
N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63135385
3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 63139949
N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166669
4-ethyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 63127725
3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106384775
N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide
CID 63144041
3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141479
N-[(3-ethoxyphenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63128509

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide (CID 107218375) is 3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide is CCC1(C(=O)NCc2cccc(CO)c2)CCCNC1.
What is the InChIKey of 3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is LWWSPVLFZMRMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-16(7-4-8-17-12-16)15(20)18-10-13-5-3-6-14(9-13)11-19/h3,5-6,9,17,19H,2,4,7-8,10-12H2,1H3,(H,18,20).
What are the key properties of 3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide?
3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 107218375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).