(2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

C18H28N4O3S — CID 172616564

IUPAC(2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCNCC1
InChIInChI=1S/C18H28N4O3S/c1-15(21-13-9-19-10-14-21)18(23)20-16-5-7-17(8-6-16)26(24,25)22-11-3-2-4-12-22/h5-8,15,19H,2-4,9-14H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyCHPHETDRMFRYRH-OAHLLOKOSA-N
MW380.51 g/mol
LogP1.09
Rot. Bonds5

About (2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

(2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 172616564) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is (2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID172616564
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name(2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCNCC1
InChIInChI=1S/C18H28N4O3S/c1-15(21-13-9-19-10-14-21)18(23)20-16-5-7-17(8-6-16)26(24,25)22-11-3-2-4-12-22/h5-8,15,19H,2-4,9-14H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyCHPHETDRMFRYRH-OAHLLOKOSA-N
XLogP1.09
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide
CID 43130677
(2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2113251
(2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2369628
N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 43089583
(2R)-N-(4-acetamidophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2473966
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 41093278
N-(4-aminophenyl)-2-piperazin-1-ylpropanamide
CID 82224554
N-(4-bromophenyl)-2-piperazin-1-ylpropanamide
CID 43089557
N-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 4824621
(2R)-2-(azepan-1-ium-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9110381
(2R)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(4-nitrophenyl)propanamide
CID 25445582
(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30728174

Frequently Asked Questions

What is the IUPAC name of (2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of (2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 172616564) is (2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for (2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for (2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCNCC1.
What is the InChIKey of (2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is CHPHETDRMFRYRH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-15(21-13-9-19-10-14-21)18(23)20-16-5-7-17(8-6-16)26(24,25)22-11-3-2-4-12-22/h5-8,15,19H,2-4,9-14H2,1H3,(H,20,23)/t15-/m1/s1.
What are the key properties of (2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
(2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 380.51 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 172616564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).