N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide

C17H23N5O3S — CID 134012322

IUPACN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H23N5O3S/c23-17(8-11-21-14-18-13-20-21)19-12-15-4-6-16(7-5-15)26(24,25)22-9-2-1-3-10-22/h4-7,13-14H,1-3,8-12H2,(H,19,23)
InChIKeyCWUOBNCONHMGOK-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.16
Rot. Bonds7

About N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 134012322) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID134012322
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H23N5O3S/c23-17(8-11-21-14-18-13-20-21)19-12-15-4-6-16(7-5-15)26(24,25)22-9-2-1-3-10-22/h4-7,13-14H,1-3,8-12H2,(H,19,23)
InChIKeyCWUOBNCONHMGOK-UHFFFAOYSA-N
XLogP1.16
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 32627824
3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 97012048
7-amino-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]heptanamide;hydrochloride
CID 119690920
2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
3-(4-piperidin-1-ylsulfonylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 27052389
N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide
CID 46483108
2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875081
3-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55972416
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 31515582
2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759228

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 134012322) is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is CWUOBNCONHMGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c23-17(8-11-21-14-18-13-20-21)19-12-15-4-6-16(7-5-15)26(24,25)22-9-2-1-3-10-22/h4-7,13-14H,1-3,8-12H2,(H,19,23).
What are the key properties of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 377.47 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 134012322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).