N,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C17H23N5O — CID 155878997

IUPACN,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)C1(n2cccn2)CCCN(Cc2cccnc2)C1
InChIInChI=1S/C17H23N5O/c1-20(2)16(23)17(22-11-5-9-19-22)7-4-10-21(14-17)13-15-6-3-8-18-12-15/h3,5-6,8-9,11-12H,4,7,10,13-14H2,1-2H3
InChIKeyUJZGIGZJKHNIBC-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.36
Rot. Bonds4

About N,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide

N,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 155878997) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID155878997
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)C1(n2cccn2)CCCN(Cc2cccnc2)C1
InChIInChI=1S/C17H23N5O/c1-20(2)16(23)17(22-11-5-9-19-22)7-4-10-21(14-17)13-15-6-3-8-18-12-15/h3,5-6,8-9,11-12H,4,7,10,13-14H2,1-2H3
InChIKeyUJZGIGZJKHNIBC-UHFFFAOYSA-N
XLogP1.36
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155878692
1-[(2-chlorophenyl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155878950
3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 155879167
N,N-dimethyl-2-[2-(pyridin-3-ylmethyl)-2,6-diazaspiro[4.5]decan-6-yl]acetamide
CID 134070809
1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879248
N,N-dimethyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879948
N,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155879570
(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 124986361
1-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155878944
N,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155880030
(3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 124989292
3-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 56862776

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 155878997) is N,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide is CN(C)C(=O)C1(n2cccn2)CCCN(Cc2cccnc2)C1.
What is the InChIKey of N,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is UJZGIGZJKHNIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-20(2)16(23)17(22-11-5-9-19-22)7-4-10-21(14-17)13-15-6-3-8-18-12-15/h3,5-6,8-9,11-12H,4,7,10,13-14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
N,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 155878997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).