N-benzyl-N-ethyl-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide

C25H30N4O — CID 131889434

IUPACN-benzyl-N-ethyl-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccnn2-c2ccccc2)CC1
InChIInChI=1S/C25H30N4O/c1-2-28(19-21-9-5-3-6-10-21)25(30)22-14-17-27(18-15-22)20-24-13-16-26-29(24)23-11-7-4-8-12-23/h3-13,16,22H,2,14-15,17-20H2,1H3
InChIKeyWPCWOHGTGDHLDH-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.13
Rot. Bonds7

About N-benzyl-N-ethyl-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide

N-benzyl-N-ethyl-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 131889434) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID131889434
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-benzyl-N-ethyl-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccnn2-c2ccccc2)CC1
InChIInChI=1S/C25H30N4O/c1-2-28(19-21-9-5-3-6-10-21)25(30)22-14-17-27(18-15-22)20-24-13-16-26-29(24)23-11-7-4-8-12-23/h3-13,16,22H,2,14-15,17-20H2,1H3
InChIKeyWPCWOHGTGDHLDH-UHFFFAOYSA-N
XLogP4.13
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid
CID 2903464
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
(1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 95875963
N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 44828320
1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 86870595
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 3589734
N-benzyl-N-ethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 649006
methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
CID 110754107
N-benzyl-N-ethyl-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]piperidine-4-carboxamide
CID 131908589
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-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide (CID 131889434) is N-benzyl-N-ethyl-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccnn2-c2ccccc2)CC1.
What is the InChIKey of N-benzyl-N-ethyl-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is WPCWOHGTGDHLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-2-28(19-21-9-5-3-6-10-21)25(30)22-14-17-27(18-15-22)20-24-13-16-26-29(24)23-11-7-4-8-12-23/h3-13,16,22H,2,14-15,17-20H2,1H3.
What are the key properties of N-benzyl-N-ethyl-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide?
N-benzyl-N-ethyl-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 131889434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).