N-(3-hydroxypropyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carboxamide

C12H20N4O4S — CID 102692301

IUPACN-(3-hydroxypropyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carboxamide
SMILESO=C(NCCCO)C1CCN(S(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C12H20N4O4S/c17-9-1-5-13-12(18)10-3-7-16(8-4-10)21(19,20)11-2-6-14-15-11/h2,6,10,17H,1,3-5,7-9H2,(H,13,18)(H,14,15)
InChIKeyAMDRPTVVHNFJCG-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.69
Rot. Bonds6

About N-(3-hydroxypropyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carboxamide

N-(3-hydroxypropyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 102692301) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carboxamide
PubChem CID102692301
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC NameN-(3-hydroxypropyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carboxamide
SMILESO=C(NCCCO)C1CCN(S(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C12H20N4O4S/c17-9-1-5-13-12(18)10-3-7-16(8-4-10)21(19,20)11-2-6-14-15-11/h2,6,10,17H,1,3-5,7-9H2,(H,13,18)(H,14,15)
InChIKeyAMDRPTVVHNFJCG-UHFFFAOYSA-N
XLogP-0.69
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 3152303
1-(4-chlorophenyl)sulfonyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 100659038
N-(3-methylsulfanylpropyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine-1-carboxamide
CID 122154844
4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102692305
N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine
CID 102692300
N-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 78781141
3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
CID 60951236
N-[3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 100652408
N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]ethanamine
CID 102690328
(3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine
CID 102693661
N-[(4-methylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
CID 50784607
N-[(2,5-dimethylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
CID 50787093

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carboxamide (CID 102692301) is N-(3-hydroxypropyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carboxamide is O=C(NCCCO)C1CCN(S(=O)(=O)c2ccn[nH]2)CC1.
What is the InChIKey of N-(3-hydroxypropyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is AMDRPTVVHNFJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c17-9-1-5-13-12(18)10-3-7-16(8-4-10)21(19,20)11-2-6-14-15-11/h2,6,10,17H,1,3-5,7-9H2,(H,13,18)(H,14,15).
What are the key properties of N-(3-hydroxypropyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carboxamide?
N-(3-hydroxypropyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 316.38 g/mol, XLogP of -0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 102692301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).