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

C22H31ClN4O — CID 25454045

IUPACN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)CC2CCN(CCc3ccc(Cl)cc3)CC2)n(C)n1
InChIInChI=1S/C22H31ClN4O/c1-4-20-15-21(26(3)24-20)22(28)25(2)16-18-10-13-27(14-11-18)12-9-17-5-7-19(23)8-6-17/h5-8,15,18H,4,9-14,16H2,1-3H3
InChIKeyMSDJTYNFHNNGFM-UHFFFAOYSA-N
MW402.97 g/mol
LogP3.66
Rot. Bonds7

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

N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 25454045) has the molecular formula C22H31ClN4O and a molecular weight of 402.97 g/mol. Its IUPAC name is N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
PubChem CID25454045
Molecular FormulaC22H31ClN4O
Molecular Weight402.97 g/mol
Exact Mass402.22
IUPAC NameN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)CC2CCN(CCc3ccc(Cl)cc3)CC2)n(C)n1
InChIInChI=1S/C22H31ClN4O/c1-4-20-15-21(26(3)24-20)22(28)25(2)16-18-10-13-27(14-11-18)12-9-17-5-7-19(23)8-6-17/h5-8,15,18H,4,9-14,16H2,1-3H3
InChIKeyMSDJTYNFHNNGFM-UHFFFAOYSA-N
XLogP3.66
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.97
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 42557349
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethyl-1H-pyrrole-3-carboxamide
CID 72869126
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-cyano-N-methylbenzamide
CID 72924461
N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide
CID 42508337
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
CID 25301617
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide
CID 45179371
1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 42518255
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide
CID 24946469
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide
CID 24817190
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 72928817
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]-N,5-dimethylpyrazine-2-carboxamide
CID 45220091

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (CID 25454045) is N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is CCc1cc(C(=O)N(C)CC2CCN(CCc3ccc(Cl)cc3)CC2)n(C)n1.
What is the InChIKey of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is MSDJTYNFHNNGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN4O/c1-4-20-15-21(26(3)24-20)22(28)25(2)16-18-10-13-27(14-11-18)12-9-17-5-7-19(23)8-6-17/h5-8,15,18H,4,9-14,16H2,1-3H3.
What are the key properties of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 402.97 g/mol, XLogP of 3.66, 7 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-4-yl]methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 25454045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).