N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide

C24H33N5O2 — CID 95100787

IUPACN-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCCc1ccc([C@@H](C)NC(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)cc1
InChIInChI=1S/C24H33N5O2/c1-3-19-4-6-20(7-5-19)18(2)27-24(30)21-8-10-28(11-9-21)22-16-25-17-26-23(22)29-12-14-31-15-13-29/h4-7,16-18,21H,3,8-15H2,1-2H3,(H,27,30)/t18-/m1/s1
InChIKeyADLAGSKNAHPZOS-GOSISDBHSA-N
MW423.56 g/mol
LogP2.97
Rot. Bonds6

About N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide

N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 95100787) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID95100787
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC NameN-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCCc1ccc([C@@H](C)NC(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)cc1
InChIInChI=1S/C24H33N5O2/c1-3-19-4-6-20(7-5-19)18(2)27-24(30)21-8-10-28(11-9-21)22-16-25-17-26-23(22)29-12-14-31-15-13-29/h4-7,16-18,21H,3,8-15H2,1-2H3,(H,27,30)/t18-/m1/s1
InChIKeyADLAGSKNAHPZOS-GOSISDBHSA-N
XLogP2.97
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide (CID 95100787) is N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide is CCc1ccc([C@@H](C)NC(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)cc1.
What is the InChIKey of N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is ADLAGSKNAHPZOS-GOSISDBHSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-3-19-4-6-20(7-5-19)18(2)27-24(30)21-8-10-28(11-9-21)22-16-25-17-26-23(22)29-12-14-31-15-13-29/h4-7,16-18,21H,3,8-15H2,1-2H3,(H,27,30)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 95100787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).