N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide

C27H34N4O2 — CID 42473482

IUPACN,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1
InChIInChI=1S/C27H34N4O2/c1-4-30(5-2)27(32)21-14-16-29(17-15-21)19-23-20-31(24-11-7-6-8-12-24)28-26(23)22-10-9-13-25(18-22)33-3/h6-13,18,20-21H,4-5,14-17,19H2,1-3H3
InChIKeyREWCDXQRSWNHSW-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.63
Rot. Bonds8

About N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide

N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 42473482) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide
PubChem CID42473482
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1
InChIInChI=1S/C27H34N4O2/c1-4-30(5-2)27(32)21-14-16-29(17-15-21)19-23-20-31(24-11-7-6-8-12-24)28-26(23)22-10-9-13-25(18-22)33-3/h6-13,18,20-21H,4-5,14-17,19H2,1-3H3
InChIKeyREWCDXQRSWNHSW-UHFFFAOYSA-N
XLogP4.63
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 44828320
(3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 26406111
(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163079
(3S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163078
(3S)-1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124693422
2-[ethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]ethanol
CID 26392310
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 1076473
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid
CID 123132441
1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 43918618
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 112793080
N-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide
CID 78818674
1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 46664061

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide (CID 42473482) is N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1.
What is the InChIKey of N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide?
The InChIKey is REWCDXQRSWNHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-4-30(5-2)27(32)21-14-16-29(17-15-21)19-23-20-31(24-11-7-6-8-12-24)28-26(23)22-10-9-13-25(18-22)33-3/h6-13,18,20-21H,4-5,14-17,19H2,1-3H3.
What are the key properties of N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide?
N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 42473482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).