[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone

C24H28N4O — CID 45220798

IUPAC[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone
SMILESCN(Cc1ccccc1)C1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C24H28N4O/c1-26(16-20-9-4-2-5-10-20)23-13-8-14-27(19-23)24(29)22-15-25-28(18-22)17-21-11-6-3-7-12-21/h2-7,9-12,15,18,23H,8,13-14,16-17,19H2,1H3
InChIKeyYJLRUINRUUOUPH-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.67
Rot. Bonds6

About [3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone

[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone (PubChem CID 45220798) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is [3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone
PubChem CID45220798
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone
SMILESCN(Cc1ccccc1)C1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C24H28N4O/c1-26(16-20-9-4-2-5-10-20)23-13-8-14-27(19-23)24(29)22-15-25-28(18-22)17-21-11-6-3-7-12-21/h2-7,9-12,15,18,23H,8,13-14,16-17,19H2,1H3
InChIKeyYJLRUINRUUOUPH-UHFFFAOYSA-N
XLogP3.67
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763357
(1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489971
(1-benzylpyrazol-4-yl)-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 51937170
[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 45204558
1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]but-2-yn-1-one
CID 42508292
[1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 45211487
[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 46564681
(1-benzylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119636679
2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
CID 66567107
(1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698614
[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 95715751
[3-[benzyl(methyl)amino]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 45206682

Frequently Asked Questions

What is the IUPAC name of [3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone?
The IUPAC name of [3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone (CID 45220798) is [3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone?
The canonical SMILES for [3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone is CN(Cc1ccccc1)C1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1.
What is the InChIKey of [3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone?
The InChIKey is YJLRUINRUUOUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-26(16-20-9-4-2-5-10-20)23-13-8-14-27(19-23)24(29)22-15-25-28(18-22)17-21-11-6-3-7-12-21/h2-7,9-12,15,18,23H,8,13-14,16-17,19H2,1H3.
What are the key properties of [3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone?
[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone has a molecular weight of 388.52 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone is sourced from PubChem (CID 45220798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).