N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]-N-propanoylpropanamide

C20H31N5O4S — CID 4191547

IUPACN-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]-N-propanoylpropanamide
SMILESCCC(=O)N(C(=O)CC)N1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H31N5O4S/c1-3-19(26)25(20(27)4-2)23-14-12-22(13-15-23)17-8-9-21-16-18(17)30(28,29)24-10-6-5-7-11-24/h8-9,16H,3-7,10-15H2,1-2H3
InChIKeyDWAYWQFFVKGRAH-UHFFFAOYSA-N
MW437.57 g/mol
LogP1.47
Rot. Bonds6

About N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]-N-propanoylpropanamide

N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]-N-propanoylpropanamide (PubChem CID 4191547) has the molecular formula C20H31N5O4S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]-N-propanoylpropanamide.

Molecular Properties

Compound NameN-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]-N-propanoylpropanamide
PubChem CID4191547
Molecular FormulaC20H31N5O4S
Molecular Weight437.57 g/mol
Exact Mass437.21
IUPAC NameN-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]-N-propanoylpropanamide
SMILESCCC(=O)N(C(=O)CC)N1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H31N5O4S/c1-3-19(26)25(20(27)4-2)23-14-12-22(13-15-23)17-8-9-21-16-18(17)30(28,29)24-10-6-5-7-11-24/h8-9,16H,3-7,10-15H2,1-2H3
InChIKeyDWAYWQFFVKGRAH-UHFFFAOYSA-N
XLogP1.47
TPSA94.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-Methyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 902073
N-isopropyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]-1-piperazinecarboxamide
CID 1214480
N-{4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]-1-piperazinyl}propanamide
CID 1214521
(4-Pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone
CID 62705315
1-Isopropyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 325375
1-Cyclopentyl-4-{[1-(pyridin-3-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine
CID 3240878
[4-(4-Iodophenyl)sulfonylpiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
CID 9871989
[4-(Benzenesulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
CID 10693131
4-(4-Phenylpiperazin-1-yl)pyridine-3-sulfonamide
CID 73357104
N-methyl-4-(4-methyl-1-piperazinyl)-3-pyridinesulfonamide
CID 902075
AJ-333/25006282
CID 325373
Ethyl 4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]-1-piperazinecarboxylate
CID 1214448

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]-N-propanoylpropanamide?
The IUPAC name of N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]-N-propanoylpropanamide (CID 4191547) is N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]-N-propanoylpropanamide.
What is the SMILES notation for N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]-N-propanoylpropanamide?
The canonical SMILES for N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]-N-propanoylpropanamide is CCC(=O)N(C(=O)CC)N1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]-N-propanoylpropanamide?
The InChIKey is DWAYWQFFVKGRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O4S/c1-3-19(26)25(20(27)4-2)23-14-12-22(13-15-23)17-8-9-21-16-18(17)30(28,29)24-10-6-5-7-11-24/h8-9,16H,3-7,10-15H2,1-2H3.
What are the key properties of N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]-N-propanoylpropanamide?
N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]-N-propanoylpropanamide has a molecular weight of 437.57 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]-N-propanoylpropanamide is sourced from PubChem (CID 4191547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).