N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide

C20H27N5O2 — CID 56749459

IUPACN-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccnn1C1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C20H27N5O2/c1-15-6-4-5-7-17(15)20(27)22-18-8-11-21-25(18)16-9-12-24(13-10-16)14-19(26)23(2)3/h4-8,11,16H,9-10,12-14H2,1-3H3,(H,22,27)
InChIKeyYCWHAHAOCZHRBW-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.17
Rot. Bonds5

About N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide

N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide (PubChem CID 56749459) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
PubChem CID56749459
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccnn1C1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C20H27N5O2/c1-15-6-4-5-7-17(15)20(27)22-18-8-11-21-25(18)16-9-12-24(13-10-16)14-19(26)23(2)3/h4-8,11,16H,9-10,12-14H2,1-3H3,(H,22,27)
InChIKeyYCWHAHAOCZHRBW-UHFFFAOYSA-N
XLogP2.17
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide
CID 78793945
2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24793147
2-methyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24790620
(2R)-N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
CID 95229818
2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24793136
2-methyl-N-[2-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42100254
N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
CID 42376458
N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
CID 26332273
2-methyl-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25447155
5-amino-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-methylbenzamide
CID 120640533
5-amino-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-methylbenzamide;dihydrochloride
CID 120640532
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide
CID 25450557

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
The IUPAC name of N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide (CID 56749459) is N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccnn1C1CCN(CC(=O)N(C)C)CC1.
What is the InChIKey of N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
The InChIKey is YCWHAHAOCZHRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-6-4-5-7-17(15)20(27)22-18-8-11-21-25(18)16-9-12-24(13-10-16)14-19(26)23(2)3/h4-8,11,16H,9-10,12-14H2,1-3H3,(H,22,27).
What are the key properties of N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide has a molecular weight of 369.47 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide is sourced from PubChem (CID 56749459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).