N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide

C18H24N4O — CID 95216055

IUPACN-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide
SMILESCN1CCC[C@H](CCNC(=O)c2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C18H24N4O/c1-21-11-3-5-15(14-21)8-10-19-18(23)16-6-2-7-17(13-16)22-12-4-9-20-22/h2,4,6-7,9,12-13,15H,3,5,8,10-11,14H2,1H3,(H,19,23)/t15-/m1/s1
InChIKeyKRZXGJHFAYYKHY-OAHLLOKOSA-N
MW312.42 g/mol
LogP2.33
Rot. Bonds5

About N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide

N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide (PubChem CID 95216055) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide
PubChem CID95216055
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide
SMILESCN1CCC[C@H](CCNC(=O)c2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C18H24N4O/c1-21-11-3-5-15(14-21)8-10-19-18(23)16-6-2-7-17(13-16)22-12-4-9-20-22/h2,4,6-7,9,12-13,15H,3,5,8,10-11,14H2,1H3,(H,19,23)/t15-/m1/s1
InChIKeyKRZXGJHFAYYKHY-OAHLLOKOSA-N
XLogP2.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide
CID 97214308
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CID 122246324
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-3-pyrazol-1-ylbenzamide
CID 121018531
2-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56723308
N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide
CID 133112639
3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246749
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide
CID 95194154
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide
CID 62654182
N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 110698153
N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026999
N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119558997

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide (CID 95216055) is N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide is CN1CCC[C@H](CCNC(=O)c2cccc(-n3cccn3)c2)C1.
What is the InChIKey of N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is KRZXGJHFAYYKHY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21-11-3-5-15(14-21)8-10-19-18(23)16-6-2-7-17(13-16)22-12-4-9-20-22/h2,4,6-7,9,12-13,15H,3,5,8,10-11,14H2,1H3,(H,19,23)/t15-/m1/s1.
What are the key properties of N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide?
N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 312.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 95216055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).