N-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride

C19H29ClN4OS — CID 154905007

IUPACN-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
SMILESCCCCN(Cc1ccsc1)C(=O)Cn1nccc1C1CCCNC1.Cl
InChIInChI=1S/C19H28N4OS.ClH/c1-2-3-10-22(13-16-7-11-25-15-16)19(24)14-23-18(6-9-21-23)17-5-4-8-20-12-17;/h6-7,9,11,15,17,20H,2-5,8,10,12-14H2,1H3;1H
InChIKeyDRVFPHQJRNMFHR-UHFFFAOYSA-N
MW396.99 g/mol
LogP3.66
Rot. Bonds8

About N-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride

N-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride (PubChem CID 154905007) has the molecular formula C19H29ClN4OS and a molecular weight of 396.99 g/mol. Its IUPAC name is N-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
PubChem CID154905007
Molecular FormulaC19H29ClN4OS
Molecular Weight396.99 g/mol
Exact Mass396.18
IUPAC NameN-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
SMILESCCCCN(Cc1ccsc1)C(=O)Cn1nccc1C1CCCNC1.Cl
InChIInChI=1S/C19H28N4OS.ClH/c1-2-3-10-22(13-16-7-11-25-15-16)19(24)14-23-18(6-9-21-23)17-5-4-8-20-12-17;/h6-7,9,11,15,17,20H,2-5,8,10,12-14H2,1H3;1H
InChIKeyDRVFPHQJRNMFHR-UHFFFAOYSA-N
XLogP3.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.99
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-ethyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119069345
N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide
CID 126425206
N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119058801
N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
CID 126440496
1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
CID 154903731
N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126445012
N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126445011
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126452950
N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide;hydrochloride
CID 154903847
1-(azepan-1-yl)-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126426759
2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 126443982
N-butyl-2-[(3S)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 126451018

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride?
The IUPAC name of N-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride (CID 154905007) is N-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for N-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for N-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride is CCCCN(Cc1ccsc1)C(=O)Cn1nccc1C1CCCNC1.Cl.
What is the InChIKey of N-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride?
The InChIKey is DRVFPHQJRNMFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS.ClH/c1-2-3-10-22(13-16-7-11-25-15-16)19(24)14-23-18(6-9-21-23)17-5-4-8-20-12-17;/h6-7,9,11,15,17,20H,2-5,8,10,12-14H2,1H3;1H.
What are the key properties of N-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride?
N-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride has a molecular weight of 396.99 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 154905007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).