[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone

C21H30N4O — CID 119645620

IUPAC[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2cccc(Cn3nc(C)cc3C)c2)CC1
InChIInChI=1S/C21H30N4O/c1-4-22-14-18-8-10-24(11-9-18)21(26)20-7-5-6-19(13-20)15-25-17(3)12-16(2)23-25/h5-7,12-13,18,22H,4,8-11,14-15H2,1-3H3
InChIKeyVDWQRKYUYDPHBZ-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.01
Rot. Bonds6

About [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone

[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119645620) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
PubChem CID119645620
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2cccc(Cn3nc(C)cc3C)c2)CC1
InChIInChI=1S/C21H30N4O/c1-4-22-14-18-8-10-24(11-9-18)21(26)20-7-5-6-19(13-20)15-25-17(3)12-16(2)23-25/h5-7,12-13,18,22H,4,8-11,14-15H2,1-3H3
InChIKeyVDWQRKYUYDPHBZ-UHFFFAOYSA-N
XLogP3.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-aminopiperidin-1-yl)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone;hydrochloride
CID 119374195
ethyl 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxylate
CID 39891416
2-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]pyrrolidin-3-yl]acetamide
CID 131961725
[(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 119410639
[(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone;hydrochloride
CID 119410638
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 35324290
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 166618279
(4-benzylpiperidin-1-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 99289952
(3R)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
CID 124576726
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 95155111
1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118440

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone (CID 119645620) is [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone is CCNCC1CCN(C(=O)c2cccc(Cn3nc(C)cc3C)c2)CC1.
What is the InChIKey of [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is VDWQRKYUYDPHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-4-22-14-18-8-10-24(11-9-18)21(26)20-7-5-6-19(13-20)15-25-17(3)12-16(2)23-25/h5-7,12-13,18,22H,4,8-11,14-15H2,1-3H3.
What are the key properties of [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 354.50 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119645620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).