N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C20H27N5O3 — CID 120922663

IUPACN-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCN(C)C(=O)COc1cccc(CNC(=O)C2(n3cccn3)CCNCC2)c1
InChIInChI=1S/C20H27N5O3/c1-24(2)18(26)15-28-17-6-3-5-16(13-17)14-22-19(27)20(7-10-21-11-8-20)25-12-4-9-23-25/h3-6,9,12-13,21H,7-8,10-11,14-15H2,1-2H3,(H,22,27)
InChIKeyMLNYLGLKZMTBLE-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.75
Rot. Bonds7

About N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120922663) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120922663
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCN(C)C(=O)COc1cccc(CNC(=O)C2(n3cccn3)CCNCC2)c1
InChIInChI=1S/C20H27N5O3/c1-24(2)18(26)15-28-17-6-3-5-16(13-17)14-22-19(27)20(7-10-21-11-8-20)25-12-4-9-23-25/h3-6,9,12-13,21H,7-8,10-11,14-15H2,1-2H3,(H,22,27)
InChIKeyMLNYLGLKZMTBLE-UHFFFAOYSA-N
XLogP0.75
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923550
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922992
1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119283211
methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate
CID 120922883
N-[(3-chloro-4-fluorophenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921977
N-[[4-(diethylcarbamoyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120922734
N-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925468
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923153
N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921521
4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120920271
N-[(3-ethoxyphenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63128509
N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120920936

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120922663) is N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CN(C)C(=O)COc1cccc(CNC(=O)C2(n3cccn3)CCNCC2)c1.
What is the InChIKey of N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is MLNYLGLKZMTBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-24(2)18(26)15-28-17-6-3-5-16(13-17)14-22-19(27)20(7-10-21-11-8-20)25-12-4-9-23-25/h3-6,9,12-13,21H,7-8,10-11,14-15H2,1-2H3,(H,22,27).
What are the key properties of N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120922663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).