N-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide

C23H28N4OS — CID 86895496

IUPACN-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(Cn2cccn2)CC1)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C23H28N4OS/c28-22(25-23(21-8-4-17-29-21)20-6-2-1-3-7-20)11-16-26-14-9-19(10-15-26)18-27-13-5-12-24-27/h1-8,12-13,17,19,23H,9-11,14-16,18H2,(H,25,28)
InChIKeyCFSNHRPEVYHMAG-UHFFFAOYSA-N
MW408.57 g/mol
LogP3.95
Rot. Bonds8

About N-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide

N-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide (PubChem CID 86895496) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is N-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
PubChem CID86895496
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC NameN-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(Cn2cccn2)CC1)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C23H28N4OS/c28-22(25-23(21-8-4-17-29-21)20-6-2-1-3-7-20)11-16-26-14-9-19(10-15-26)18-27-13-5-12-24-27/h1-8,12-13,17,19,23H,9-11,14-16,18H2,(H,25,28)
InChIKeyCFSNHRPEVYHMAG-UHFFFAOYSA-N
XLogP3.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 110882838
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide
CID 95612062
3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 18290416
1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908286
1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxamide
CID 8557507
2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46565052
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 17455496
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40673833
methyl 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxylate
CID 8754741
4-(3-amino-3-oxopropyl)-N-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxamide
CID 122555886
4-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]butanamide
CID 8853760
3-(1-methyltetrazol-5-yl)sulfanyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 42930160

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide (CID 86895496) is N-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide is O=C(CCN1CCC(Cn2cccn2)CC1)NC(c1ccccc1)c1cccs1.
What is the InChIKey of N-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide?
The InChIKey is CFSNHRPEVYHMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c28-22(25-23(21-8-4-17-29-21)20-6-2-1-3-7-20)11-16-26-14-9-19(10-15-26)18-27-13-5-12-24-27/h1-8,12-13,17,19,23H,9-11,14-16,18H2,(H,25,28).
What are the key properties of N-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide?
N-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide has a molecular weight of 408.57 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 86895496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).