[4-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone

C22H25N5O — CID 131900032

IUPAC[4-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCN(Cc1cc(-c2ccccc2)n[nH]1)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C22H25N5O/c1-26(16-19-14-21(25-24-19)17-6-3-2-4-7-17)20-9-12-27(13-10-20)22(28)18-8-5-11-23-15-18/h2-8,11,14-15,20H,9-10,12-13,16H2,1H3,(H,24,25)
InChIKeyMQTNIBROWNLBIZ-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.21
Rot. Bonds5

About [4-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 131900032) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is [4-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID131900032
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name[4-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCN(Cc1cc(-c2ccccc2)n[nH]1)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C22H25N5O/c1-26(16-19-14-21(25-24-19)17-6-3-2-4-7-17)20-9-12-27(13-10-20)22(28)18-8-5-11-23-15-18/h2-8,11,14-15,20H,9-10,12-13,16H2,1H3,(H,24,25)
InChIKeyMQTNIBROWNLBIZ-UHFFFAOYSA-N
XLogP3.21
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
[3-(dimethylamino)phenyl]-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087830
[4-(dimethylamino)phenyl]-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087831
[4-(phenylsulfanylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84514656
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63859263
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 86264894
N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113005906
2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521437
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone (CID 131900032) is [4-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone is CN(Cc1cc(-c2ccccc2)n[nH]1)C1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of [4-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is MQTNIBROWNLBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-26(16-19-14-21(25-24-19)17-6-3-2-4-7-17)20-9-12-27(13-10-20)22(28)18-8-5-11-23-15-18/h2-8,11,14-15,20H,9-10,12-13,16H2,1H3,(H,24,25).
What are the key properties of [4-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 375.48 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 131900032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).