N-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide

C19H23ClN4O2 — CID 126792461

IUPACN-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(C(=O)c2nn(-c3ccccc3Cl)cc2C)C1
InChIInChI=1S/C19H23ClN4O2/c1-13-11-24(17-8-4-3-7-16(17)20)22-18(13)19(26)23-9-5-6-15(12-23)10-21-14(2)25/h3-4,7-8,11,15H,5-6,9-10,12H2,1-2H3,(H,21,25)
InChIKeyXFMXXSIKBFKRTP-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.82
Rot. Bonds4

About N-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide

N-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide (PubChem CID 126792461) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide
PubChem CID126792461
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(C(=O)c2nn(-c3ccccc3Cl)cc2C)C1
InChIInChI=1S/C19H23ClN4O2/c1-13-11-24(17-8-4-3-7-16(17)20)22-18(13)19(26)23-9-5-6-15(12-23)10-21-14(2)25/h3-4,7-8,11,15H,5-6,9-10,12H2,1-2H3,(H,21,25)
InChIKeyXFMXXSIKBFKRTP-UHFFFAOYSA-N
XLogP2.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 126767010
(2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241686
[1-(2-chlorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397283
N-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide
CID 129369520
3-[(3R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 129415250
(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204735
2-chloro-N-[[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
CID 42594765
N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide
CID 124681917
N-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide
CID 126776876
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 26323757
N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]acetamide
CID 119746036

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide (CID 126792461) is N-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide is CC(=O)NCC1CCCN(C(=O)c2nn(-c3ccccc3Cl)cc2C)C1.
What is the InChIKey of N-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is XFMXXSIKBFKRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-13-11-24(17-8-4-3-7-16(17)20)22-18(13)19(26)23-9-5-6-15(12-23)10-21-14(2)25/h3-4,7-8,11,15H,5-6,9-10,12H2,1-2H3,(H,21,25).
What are the key properties of N-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide?
N-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 374.87 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 126792461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).