1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-4-carboxamide

C21H28N6O2 — CID 95114164

IUPAC1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1)c1ccccn1
InChIInChI=1S/C21H28N6O2/c1-16(18-4-2-3-7-23-18)25-21(28)17-5-8-26(9-6-17)19-14-22-15-24-20(19)27-10-12-29-13-11-27/h2-4,7,14-17H,5-6,8-13H2,1H3,(H,25,28)/t16-/m1/s1
InChIKeyPNYNLGGRZCROFC-MRXNPFEDSA-N
MW396.50 g/mol
LogP1.80
Rot. Bonds5

About 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-4-carboxamide

1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-4-carboxamide (PubChem CID 95114164) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-4-carboxamide
PubChem CID95114164
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1)c1ccccn1
InChIInChI=1S/C21H28N6O2/c1-16(18-4-2-3-7-23-18)25-21(28)17-5-8-26(9-6-17)19-14-22-15-24-20(19)27-10-12-29-13-11-27/h2-4,7,14-17H,5-6,8-13H2,1H3,(H,25,28)/t16-/m1/s1
InChIKeyPNYNLGGRZCROFC-MRXNPFEDSA-N
XLogP1.80
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-4-carboxamide (CID 95114164) is 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-4-carboxamide is C[C@@H](NC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1)c1ccccn1.
What is the InChIKey of 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-4-carboxamide?
The InChIKey is PNYNLGGRZCROFC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-16(18-4-2-3-7-23-18)25-21(28)17-5-8-26(9-6-17)19-14-22-15-24-20(19)27-10-12-29-13-11-27/h2-4,7,14-17H,5-6,8-13H2,1H3,(H,25,28)/t16-/m1/s1.
What are the key properties of 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-4-carboxamide?
1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-4-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 95114164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).