(3R,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine

C15H27N5O4S — CID 118779147

IUPAC(3R,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
SMILESCc1[nH]nc(CCC(=O)N2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)c1C
InChIInChI=1S/C15H27N5O4S/c1-10-11(2)16-17-12(10)5-6-15(22)20-8-7-13(14(21)9-20)18-25(23,24)19(3)4/h13-14,18,21H,5-9H2,1-4H3,(H,16,17)/t13-,14-/m1/s1
InChIKeySZAWMHPZXDGARU-ZIAGYGMSSA-N
MW373.48 g/mol
LogP-0.68
Rot. Bonds6

About (3R,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine

(3R,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine (PubChem CID 118779147) has the molecular formula C15H27N5O4S and a molecular weight of 373.48 g/mol. Its IUPAC name is (3R,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine.

Molecular Properties

Compound Name(3R,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
PubChem CID118779147
Molecular FormulaC15H27N5O4S
Molecular Weight373.48 g/mol
Exact Mass373.18
IUPAC Name(3R,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
SMILESCc1[nH]nc(CCC(=O)N2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)c1C
InChIInChI=1S/C15H27N5O4S/c1-10-11(2)16-17-12(10)5-6-15(22)20-8-7-13(14(21)9-20)18-25(23,24)19(3)4/h13-14,18,21H,5-9H2,1-4H3,(H,16,17)/t13-,14-/m1/s1
InChIKeySZAWMHPZXDGARU-ZIAGYGMSSA-N
XLogP-0.68
TPSA118.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine 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

3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one
CID 91833490
(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-phenylsulfanylacetyl)piperidine
CID 118790702
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]propan-1-one
CID 72874587
1-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
CID 70711459
(3S,6R)-6-(dimethylamino)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]azepane-3-carboxylic acid
CID 170502508
2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine
CID 118769440
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one
CID 70713988
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one
CID 45209998
1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
CID 72872154
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
CID 97131081
(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine
CID 118769350
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 25287005

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine?
The IUPAC name of (3R,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine (CID 118779147) is (3R,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine.
What is the SMILES notation for (3R,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine?
The canonical SMILES for (3R,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine is Cc1[nH]nc(CCC(=O)N2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)c1C.
What is the InChIKey of (3R,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine?
The InChIKey is SZAWMHPZXDGARU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H27N5O4S/c1-10-11(2)16-17-12(10)5-6-15(22)20-8-7-13(14(21)9-20)18-25(23,24)19(3)4/h13-14,18,21H,5-9H2,1-4H3,(H,16,17)/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine?
(3R,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine has a molecular weight of 373.48 g/mol, XLogP of -0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine is sourced from PubChem (CID 118779147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).