N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide

C14H24N4O3S — CID 125179867

IUPACN-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)CCc1cn[nH]c1
InChIInChI=1S/C14H24N4O3S/c1-22(20,21)18-9-3-2-4-13(18)7-8-15-14(19)6-5-12-10-16-17-11-12/h10-11,13H,2-9H2,1H3,(H,15,19)(H,16,17)/t13-/m1/s1
InChIKeyWRHNPEOLJSPQDN-CYBMUJFWSA-N
MW328.44 g/mol
LogP0.66
Rot. Bonds7

About N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide

N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 125179867) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide
PubChem CID125179867
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)CCc1cn[nH]c1
InChIInChI=1S/C14H24N4O3S/c1-22(20,21)18-9-3-2-4-13(18)7-8-15-14(19)6-5-12-10-16-17-11-12/h10-11,13H,2-9H2,1H3,(H,15,19)(H,16,17)/t13-/m1/s1
InChIKeyWRHNPEOLJSPQDN-CYBMUJFWSA-N
XLogP0.66
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide (CID 125179867) is N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide is CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)CCc1cn[nH]c1.
What is the InChIKey of N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is WRHNPEOLJSPQDN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-22(20,21)18-9-3-2-4-13(18)7-8-15-14(19)6-5-12-10-16-17-11-12/h10-11,13H,2-9H2,1H3,(H,15,19)(H,16,17)/t13-/m1/s1.
What are the key properties of N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide?
N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 328.44 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 125179867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).