N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C19H24N4O2 — CID 3223369

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCCN(c3ncccn3)C2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-17-7-5-15(6-8-17)9-12-20-18(24)16-4-2-13-23(14-16)19-21-10-3-11-22-19/h3,5-8,10-11,16H,2,4,9,12-14H2,1H3,(H,20,24)
InChIKeyKLGWPVNEZUVZPM-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.06
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 3223369) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID3223369
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCCN(c3ncccn3)C2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-17-7-5-15(6-8-17)9-12-20-18(24)16-4-2-13-23(14-16)19-21-10-3-11-22-19/h3,5-8,10-11,16H,2,4,9,12-14H2,1H3,(H,20,24)
InChIKeyKLGWPVNEZUVZPM-UHFFFAOYSA-N
XLogP2.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
(3S)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52508766
N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519783
(3S)-N-[(3-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452514
(3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
CID 7435428
(3S)-N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452707
N-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51091928
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 90654569
N-[2-(4-methoxyphenyl)ethyl]-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104051
N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3309931
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 90612068

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 3223369) is N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is COc1ccc(CCNC(=O)C2CCCN(c3ncccn3)C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is KLGWPVNEZUVZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-17-7-5-15(6-8-17)9-12-20-18(24)16-4-2-13-23(14-16)19-21-10-3-11-22-19/h3,5-8,10-11,16H,2,4,9,12-14H2,1H3,(H,20,24).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 3223369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).