N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(1-methylpyrazol-3-yl)acetamide

C17H21ClN4O — CID 136522287

IUPACN-[1-(2-chlorophenyl)piperidin-3-yl]-2-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(CC(=O)NC2CCCN(c3ccccc3Cl)C2)n1
InChIInChI=1S/C17H21ClN4O/c1-21-10-8-13(20-21)11-17(23)19-14-5-4-9-22(12-14)16-7-3-2-6-15(16)18/h2-3,6-8,10,14H,4-5,9,11-12H2,1H3,(H,19,23)
InChIKeyVAPUADINVRSMRY-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.40
Rot. Bonds4

About N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(1-methylpyrazol-3-yl)acetamide

N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(1-methylpyrazol-3-yl)acetamide (PubChem CID 136522287) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)piperidin-3-yl]-2-(1-methylpyrazol-3-yl)acetamide
PubChem CID136522287
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC NameN-[1-(2-chlorophenyl)piperidin-3-yl]-2-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(CC(=O)NC2CCCN(c3ccccc3Cl)C2)n1
InChIInChI=1S/C17H21ClN4O/c1-21-10-8-13(20-21)11-17(23)19-14-5-4-9-22(12-14)16-7-3-2-6-15(16)18/h2-3,6-8,10,14H,4-5,9,11-12H2,1H3,(H,19,23)
InChIKeyVAPUADINVRSMRY-UHFFFAOYSA-N
XLogP2.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide
CID 119882578
N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 126813830
3-[(3S)-1-(2-chlorophenyl)piperidin-3-yl]-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 99818022
3-[1-(2-chlorophenyl)piperidin-3-yl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 111507150
N-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide
CID 145270654
N-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide
CID 99715413
1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122003462
2-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]-2-phenylacetamide
CID 119882522
1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119882542
3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111507151
N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993639
2-(3-chlorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965513

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(1-methylpyrazol-3-yl)acetamide (CID 136522287) is N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(CC(=O)NC2CCCN(c3ccccc3Cl)C2)n1.
What is the InChIKey of N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is VAPUADINVRSMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-21-10-8-13(20-21)11-17(23)19-14-5-4-9-22(12-14)16-7-3-2-6-15(16)18/h2-3,6-8,10,14H,4-5,9,11-12H2,1H3,(H,19,23).
What are the key properties of N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(1-methylpyrazol-3-yl)acetamide?
N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 332.83 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 136522287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).