1-(1-methylpyrazol-4-yl)-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]piperidin-2-one

C22H32N6O — CID 126770133

IUPAC1-(1-methylpyrazol-4-yl)-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]piperidin-2-one
SMILESCN(CCC1CCN(c2ccncc2)CC1)C1CCCN(c2cnn(C)c2)C1=O
InChIInChI=1S/C22H32N6O/c1-25(21-4-3-12-28(22(21)29)20-16-24-26(2)17-20)13-7-18-8-14-27(15-9-18)19-5-10-23-11-6-19/h5-6,10-11,16-18,21H,3-4,7-9,12-15H2,1-2H3
InChIKeyATGKSQRNQIFDPX-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.55
Rot. Bonds6

About 1-(1-methylpyrazol-4-yl)-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]piperidin-2-one

1-(1-methylpyrazol-4-yl)-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]piperidin-2-one (PubChem CID 126770133) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]piperidin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]piperidin-2-one
PubChem CID126770133
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Name1-(1-methylpyrazol-4-yl)-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]piperidin-2-one
SMILESCN(CCC1CCN(c2ccncc2)CC1)C1CCCN(c2cnn(C)c2)C1=O
InChIInChI=1S/C22H32N6O/c1-25(21-4-3-12-28(22(21)29)20-16-24-26(2)17-20)13-7-18-8-14-27(15-9-18)19-5-10-23-11-6-19/h5-6,10-11,16-18,21H,3-4,7-9,12-15H2,1-2H3
InChIKeyATGKSQRNQIFDPX-UHFFFAOYSA-N
XLogP2.55
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]piperidin-2-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]piperidin-2-one (CID 126770133) is 1-(1-methylpyrazol-4-yl)-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]piperidin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]piperidin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]piperidin-2-one is CN(CCC1CCN(c2ccncc2)CC1)C1CCCN(c2cnn(C)c2)C1=O.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]piperidin-2-one?
The InChIKey is ATGKSQRNQIFDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-25(21-4-3-12-28(22(21)29)20-16-24-26(2)17-20)13-7-18-8-14-27(15-9-18)19-5-10-23-11-6-19/h5-6,10-11,16-18,21H,3-4,7-9,12-15H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]piperidin-2-one?
1-(1-methylpyrazol-4-yl)-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]piperidin-2-one has a molecular weight of 396.54 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]piperidin-2-one is sourced from PubChem (CID 126770133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).