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

C23H31N5O2 — CID 53165858

IUPACN-[(4-ethylphenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)cc1
InChIInChI=1S/C23H31N5O2/c1-2-18-3-5-19(6-4-18)15-25-23(29)20-7-9-27(10-8-20)21-16-24-17-26-22(21)28-11-13-30-14-12-28/h3-6,16-17,20H,2,7-15H2,1H3,(H,25,29)
InChIKeyVYDCQBRJTCUZSO-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.41
Rot. Bonds6

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

N-[(4-ethylphenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 53165858) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID53165858
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN-[(4-ethylphenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)cc1
InChIInChI=1S/C23H31N5O2/c1-2-18-3-5-19(6-4-18)15-25-23(29)20-7-9-27(10-8-20)21-16-24-17-26-22(21)28-11-13-30-14-12-28/h3-6,16-17,20H,2,7-15H2,1H3,(H,25,29)
InChIKeyVYDCQBRJTCUZSO-UHFFFAOYSA-N
XLogP2.41
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165860
N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 95100787
N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165808
N-benzyl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165874
N-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165885
1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 53165799
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 95100791
N-(4-methylsulfanylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165812
(4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165758
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 95100785
N-(furan-2-ylmethyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165720
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 46289986

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide (CID 53165858) is N-[(4-ethylphenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide is CCc1ccc(CNC(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is VYDCQBRJTCUZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-2-18-3-5-19(6-4-18)15-25-23(29)20-7-9-27(10-8-20)21-16-24-17-26-22(21)28-11-13-30-14-12-28/h3-6,16-17,20H,2,7-15H2,1H3,(H,25,29).
What are the key properties of N-[(4-ethylphenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
N-[(4-ethylphenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53165858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).