(3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone

C27H33N5O2 — CID 20892795

IUPAC(3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone
SMILESCC1CC(C)CN(C(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)C1
InChIInChI=1S/C27H33N5O2/c1-20-16-21(2)19-31(18-20)26(33)22-10-14-30(15-11-22)27(34)24-17-28-32(23-8-4-3-5-9-23)25(24)29-12-6-7-13-29/h3-9,12-13,17,20-22H,10-11,14-16,18-19H2,1-2H3
InChIKeyKIHSQJOUPFUJGQ-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.02
Rot. Bonds4

About (3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone

(3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone (PubChem CID 20892795) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone
PubChem CID20892795
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone
SMILESCC1CC(C)CN(C(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)C1
InChIInChI=1S/C27H33N5O2/c1-20-16-21(2)19-31(18-20)26(33)22-10-14-30(15-11-22)27(34)24-17-28-32(23-8-4-3-5-9-23)25(24)29-12-6-7-13-29/h3-9,12-13,17,20-22H,10-11,14-16,18-19H2,1-2H3
InChIKeyKIHSQJOUPFUJGQ-UHFFFAOYSA-N
XLogP4.02
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 20915096
N-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 20892793
[1-(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 20892732
3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 20892854
1-[1-(4-bromophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-4-carboxamide
CID 30388139
ethyl 1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 20914930
[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone
CID 20915110
1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 2765904
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 6623449
(3,5-dimethylpiperidin-1-yl)-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 51239988
azepan-1-yl-[1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20936773
(3R)-N-(4-ethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 92668645

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone (CID 20892795) is (3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone is CC1CC(C)CN(C(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone?
The InChIKey is KIHSQJOUPFUJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-20-16-21(2)19-31(18-20)26(33)22-10-14-30(15-11-22)27(34)24-17-28-32(23-8-4-3-5-9-23)25(24)29-12-6-7-13-29/h3-9,12-13,17,20-22H,10-11,14-16,18-19H2,1-2H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone?
(3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone has a molecular weight of 459.59 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 20892795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).