N-benzyl-N-ethyl-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]piperidine-4-carboxamide

C23H31N3O3 — CID 131908589

IUPACN-benzyl-N-ethyl-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(Cc2c(CO)cnc(C)c2O)CC1
InChIInChI=1S/C23H31N3O3/c1-3-26(14-18-7-5-4-6-8-18)23(29)19-9-11-25(12-10-19)15-21-20(16-27)13-24-17(2)22(21)28/h4-8,13,19,27-28H,3,9-12,14-16H2,1-2H3
InChIKeyBIIFFUDQQNOSJJ-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.85
Rot. Bonds7

About N-benzyl-N-ethyl-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]piperidine-4-carboxamide

N-benzyl-N-ethyl-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]piperidine-4-carboxamide (PubChem CID 131908589) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]piperidine-4-carboxamide
PubChem CID131908589
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-benzyl-N-ethyl-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(Cc2c(CO)cnc(C)c2O)CC1
InChIInChI=1S/C23H31N3O3/c1-3-26(14-18-7-5-4-6-8-18)23(29)19-9-11-25(12-10-19)15-21-20(16-27)13-24-17(2)22(21)28/h4-8,13,19,27-28H,3,9-12,14-16H2,1-2H3
InChIKeyBIIFFUDQQNOSJJ-UHFFFAOYSA-N
XLogP2.85
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid
CID 2903464
N-benzyl-N-ethyl-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide
CID 131889434
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 3589734
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 86870595
N-benzyl-N-ethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 649006
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004413
N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 44828320
methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
CID 110754107
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109148640

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]piperidine-4-carboxamide (CID 131908589) is N-benzyl-N-ethyl-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]piperidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)C1CCN(Cc2c(CO)cnc(C)c2O)CC1.
What is the InChIKey of N-benzyl-N-ethyl-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]piperidine-4-carboxamide?
The InChIKey is BIIFFUDQQNOSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-3-26(14-18-7-5-4-6-8-18)23(29)19-9-11-25(12-10-19)15-21-20(16-27)13-24-17(2)22(21)28/h4-8,13,19,27-28H,3,9-12,14-16H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]piperidine-4-carboxamide?
N-benzyl-N-ethyl-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]piperidine-4-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 131908589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).