6-cyclopropyl-4-[4-(3-methylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one

C21H25N3O2 — CID 127903587

IUPAC6-cyclopropyl-4-[4-(3-methylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cccc(NC2CCN(C(=O)c3cc(C4CC4)[nH]c(=O)c3)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-14-3-2-4-18(11-14)22-17-7-9-24(10-8-17)21(26)16-12-19(15-5-6-15)23-20(25)13-16/h2-4,11-13,15,17,22H,5-10H2,1H3,(H,23,25)
InChIKeyWEILIVSDRSRNRU-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.28
Rot. Bonds4

About 6-cyclopropyl-4-[4-(3-methylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one

6-cyclopropyl-4-[4-(3-methylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 127903587) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 6-cyclopropyl-4-[4-(3-methylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-cyclopropyl-4-[4-(3-methylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID127903587
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name6-cyclopropyl-4-[4-(3-methylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cccc(NC2CCN(C(=O)c3cc(C4CC4)[nH]c(=O)c3)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-14-3-2-4-18(11-14)22-17-7-9-24(10-8-17)21(26)16-12-19(15-5-6-15)23-20(25)13-16/h2-4,11-13,15,17,22H,5-10H2,1H3,(H,23,25)
InChIKeyWEILIVSDRSRNRU-UHFFFAOYSA-N
XLogP3.28
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-[4-(3-methylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-cyclopropyl-4-[4-(3-methylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 127903587) is 6-cyclopropyl-4-[4-(3-methylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-cyclopropyl-4-[4-(3-methylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-cyclopropyl-4-[4-(3-methylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1cccc(NC2CCN(C(=O)c3cc(C4CC4)[nH]c(=O)c3)CC2)c1.
What is the InChIKey of 6-cyclopropyl-4-[4-(3-methylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is WEILIVSDRSRNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-3-2-4-18(11-14)22-17-7-9-24(10-8-17)21(26)16-12-19(15-5-6-15)23-20(25)13-16/h2-4,11-13,15,17,22H,5-10H2,1H3,(H,23,25).
What are the key properties of 6-cyclopropyl-4-[4-(3-methylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one?
6-cyclopropyl-4-[4-(3-methylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 351.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-[4-(3-methylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 127903587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).