N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide

C21H27ClN4O — CID 45220091

IUPACN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(C)CC2CCCN(CCc3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C21H27ClN4O/c1-16-12-24-20(13-23-16)21(27)25(2)14-18-4-3-10-26(15-18)11-9-17-5-7-19(22)8-6-17/h5-8,12-13,18H,3-4,9-11,14-15H2,1-2H3
InChIKeyRRJCLMXBELWCFG-UHFFFAOYSA-N
MW386.93 g/mol
LogP3.47
Rot. Bonds6

About N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide

N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide (PubChem CID 45220091) has the molecular formula C21H27ClN4O and a molecular weight of 386.93 g/mol. Its IUPAC name is N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
PubChem CID45220091
Molecular FormulaC21H27ClN4O
Molecular Weight386.93 g/mol
Exact Mass386.19
IUPAC NameN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(C)CC2CCCN(CCc3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C21H27ClN4O/c1-16-12-24-20(13-23-16)21(27)25(2)14-18-4-3-10-26(15-18)11-9-17-5-7-19(22)8-6-17/h5-8,12-13,18H,3-4,9-11,14-15H2,1-2H3
InChIKeyRRJCLMXBELWCFG-UHFFFAOYSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide
CID 45240100
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide
CID 45179371
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide
CID 24817190
N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 25376126
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide
CID 45237912
N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide
CID 25478709
N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 97275485
N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-phenoxyacetamide
CID 42191738
N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 42564848
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
CID 45199861
4-chloro-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 97270147
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 42100663

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide?
The IUPAC name of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide (CID 45220091) is N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide?
The canonical SMILES for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide is Cc1cnc(C(=O)N(C)CC2CCCN(CCc3ccc(Cl)cc3)C2)cn1.
What is the InChIKey of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide?
The InChIKey is RRJCLMXBELWCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O/c1-16-12-24-20(13-23-16)21(27)25(2)14-18-4-3-10-26(15-18)11-9-17-5-7-19(22)8-6-17/h5-8,12-13,18H,3-4,9-11,14-15H2,1-2H3.
What are the key properties of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide?
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide has a molecular weight of 386.93 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 45220091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).