N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide

C22H30N4O2 — CID 72928817

IUPACN-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide
SMILESCOc1ccc(CCN2CCC(CN(C)C(=O)c3cnc(C)nc3)CC2)cc1
InChIInChI=1S/C22H30N4O2/c1-17-23-14-20(15-24-17)22(27)25(2)16-19-9-12-26(13-10-19)11-8-18-4-6-21(28-3)7-5-18/h4-7,14-15,19H,8-13,16H2,1-3H3
InChIKeyNDSJFPNWGLTNRI-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.82
Rot. Bonds7

About N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide

N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide (PubChem CID 72928817) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide
PubChem CID72928817
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide
SMILESCOc1ccc(CCN2CCC(CN(C)C(=O)c3cnc(C)nc3)CC2)cc1
InChIInChI=1S/C22H30N4O2/c1-17-23-14-20(15-24-17)22(27)25(2)16-19-9-12-26(13-10-19)11-8-18-4-6-21(28-3)7-5-18/h4-7,14-15,19H,8-13,16H2,1-3H3
InChIKeyNDSJFPNWGLTNRI-UHFFFAOYSA-N
XLogP2.82
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 72847651
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide
CID 24946469
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
CID 45199861
2-[4-[[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenoxy]ethanol
CID 42463612
3-ethyl-1-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methylurea
CID 42566930
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]methanamine
CID 42122231
N-[(4-fluorophenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 26407576
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylpyrimidine-5-carboxamide
CID 72889277
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
CID 25301617
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 56700615
N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 42098715
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide (CID 72928817) is N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide is COc1ccc(CCN2CCC(CN(C)C(=O)c3cnc(C)nc3)CC2)cc1.
What is the InChIKey of N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide?
The InChIKey is NDSJFPNWGLTNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17-23-14-20(15-24-17)22(27)25(2)16-19-9-12-26(13-10-19)11-8-18-4-6-21(28-3)7-5-18/h4-7,14-15,19H,8-13,16H2,1-3H3.
What are the key properties of N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide?
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 72928817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).