1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide

C17H21N5O2 — CID 56820950

IUPAC1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NCc2ccccc2-n2cccn2)CC1
InChIInChI=1S/C17H21N5O2/c18-16(23)13-6-10-21(11-7-13)17(24)19-12-14-4-1-2-5-15(14)22-9-3-8-20-22/h1-5,8-9,13H,6-7,10-12H2,(H2,18,23)(H,19,24)
InChIKeyCCNVOVGICDXHCS-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.28
Rot. Bonds4

About 1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide

1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 56820950) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide
PubChem CID56820950
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NCc2ccccc2-n2cccn2)CC1
InChIInChI=1S/C17H21N5O2/c18-16(23)13-6-10-21(11-7-13)17(24)19-12-14-4-1-2-5-15(14)22-9-3-8-20-22/h1-5,8-9,13H,6-7,10-12H2,(H2,18,23)(H,19,24)
InChIKeyCCNVOVGICDXHCS-UHFFFAOYSA-N
XLogP1.28
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94658479
1-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 35669769
6-[(dimethylamino)methyl]-N-[(2-pyrazol-1-ylphenyl)methyl]-1,4-oxazepane-4-carboxamide
CID 121499248
(4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide
CID 97080000
(9R)-N-[(2-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125168088
4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 61166353
(2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119739823
tert-butyl 4-[2-[(2-pyrazol-1-ylphenyl)methylcarbamoyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56539191
1-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1,4-dicarboxamide
CID 71897846
2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 116677047
ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate
CID 60580696
1-(1-methylpiperidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine
CID 62658500

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide (CID 56820950) is 1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide is NC(=O)C1CCN(C(=O)NCc2ccccc2-n2cccn2)CC1.
What is the InChIKey of 1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is CCNVOVGICDXHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c18-16(23)13-6-10-21(11-7-13)17(24)19-12-14-4-1-2-5-15(14)22-9-3-8-20-22/h1-5,8-9,13H,6-7,10-12H2,(H2,18,23)(H,19,24).
What are the key properties of 1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide?
1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 56820950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).