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

C24H37N5O2 — CID 45197606

IUPACN-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOc1ccccc1CN1CCCC(CN(CCN(C)C)C(=O)c2cc(C)n(C)n2)C1
InChIInChI=1S/C24H37N5O2/c1-19-15-22(25-27(19)4)24(30)29(14-13-26(2)3)17-20-9-8-12-28(16-20)18-21-10-6-7-11-23(21)31-5/h6-7,10-11,15,20H,8-9,12-14,16-18H2,1-5H3
InChIKeyYZUUUJWTDPIOEX-UHFFFAOYSA-N
MW427.59 g/mol
LogP2.65
Rot. Bonds9

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

N-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 45197606) has the molecular formula C24H37N5O2 and a molecular weight of 427.59 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID45197606
Molecular FormulaC24H37N5O2
Molecular Weight427.59 g/mol
Exact Mass427.29
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOc1ccccc1CN1CCCC(CN(CCN(C)C)C(=O)c2cc(C)n(C)n2)C1
InChIInChI=1S/C24H37N5O2/c1-19-15-22(25-27(19)4)24(30)29(14-13-26(2)3)17-20-9-8-12-28(16-20)18-21-10-6-7-11-23(21)31-5/h6-7,10-11,15,20H,8-9,12-14,16-18H2,1-5H3
InChIKeyYZUUUJWTDPIOEX-UHFFFAOYSA-N
XLogP2.65
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42393604
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-4-methylbenzamide
CID 23723838
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 25306733
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide
CID 42357318
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-methoxy-4-methylbenzamide
CID 42380736
N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide
CID 25310727
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 72845348
N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 97269542
1-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 47075746
2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide
CID 45211956
N'-(1H-imidazol-2-ylmethyl)-N'-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-dimethylethane-1,2-diamine
CID 45178863
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97281831

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide (CID 45197606) is N-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide is COc1ccccc1CN1CCCC(CN(CCN(C)C)C(=O)c2cc(C)n(C)n2)C1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is YZUUUJWTDPIOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O2/c1-19-15-22(25-27(19)4)24(30)29(14-13-26(2)3)17-20-9-8-12-28(16-20)18-21-10-6-7-11-23(21)31-5/h6-7,10-11,15,20H,8-9,12-14,16-18H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 427.59 g/mol, XLogP of 2.65, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 45197606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).