[4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone

C18H25N5O — CID 126785476

IUPAC[4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone
SMILESCCn1cc(C2CCN(C(=O)c3cnccc3N(C)C)CC2)cn1
InChIInChI=1S/C18H25N5O/c1-4-23-13-15(11-20-23)14-6-9-22(10-7-14)18(24)16-12-19-8-5-17(16)21(2)3/h5,8,11-14H,4,6-7,9-10H2,1-3H3
InChIKeyNCKBRDUZMLRYEE-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.38
Rot. Bonds4

About [4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone

[4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone (PubChem CID 126785476) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is [4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone
PubChem CID126785476
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name[4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone
SMILESCCn1cc(C2CCN(C(=O)c3cnccc3N(C)C)CC2)cn1
InChIInChI=1S/C18H25N5O/c1-4-23-13-15(11-20-23)14-6-9-22(10-7-14)18(24)16-12-19-8-5-17(16)21(2)3/h5,8,11-14H,4,6-7,9-10H2,1-3H3
InChIKeyNCKBRDUZMLRYEE-UHFFFAOYSA-N
XLogP2.38
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
CID 122138150
[4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136530737
2-[2-[4-(1-ethylpyrazol-4-yl)piperidine-1-carbonyl]phenyl]sulfanylpropanoic acid
CID 120549869
[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone
CID 126790879
4-(1-ethylpyrazol-4-yl)-N-(3-nitro-4-pyridinyl)piperidine-1-carboxamide
CID 84599768
2-(4-aminophenyl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873901
2-amino-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 120670092
[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120637111
2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethyl]benzoic acid
CID 136550388
[4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 86815233
(3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 125143066
4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 124619050

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone (CID 126785476) is [4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone is CCn1cc(C2CCN(C(=O)c3cnccc3N(C)C)CC2)cn1.
What is the InChIKey of [4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is NCKBRDUZMLRYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-23-13-15(11-20-23)14-6-9-22(10-7-14)18(24)16-12-19-8-5-17(16)21(2)3/h5,8,11-14H,4,6-7,9-10H2,1-3H3.
What are the key properties of [4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone?
[4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 126785476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).