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

C17H27N5O3S — CID 1214521

IUPACN-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]propanamide
SMILESCCC(=O)NN1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H27N5O3S/c1-2-17(23)19-21-12-10-20(11-13-21)15-6-7-18-14-16(15)26(24,25)22-8-4-3-5-9-22/h6-7,14H,2-5,8-13H2,1H3,(H,19,23)
InChIKeyQBXJFFBWAPBVGR-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.82
Rot. Bonds5

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

N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]propanamide (PubChem CID 1214521) has the molecular formula C17H27N5O3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]propanamide
PubChem CID1214521
Molecular FormulaC17H27N5O3S
Molecular Weight381.50 g/mol
Exact Mass381.18
IUPAC NameN-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]propanamide
SMILESCCC(=O)NN1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H27N5O3S/c1-2-17(23)19-21-12-10-20(11-13-21)15-6-7-18-14-16(15)26(24,25)22-8-4-3-5-9-22/h6-7,14H,2-5,8-13H2,1H3,(H,19,23)
InChIKeyQBXJFFBWAPBVGR-UHFFFAOYSA-N
XLogP0.82
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]propanamide?
The IUPAC name of N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]propanamide (CID 1214521) is N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]propanamide is CCC(=O)NN1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]propanamide?
The InChIKey is QBXJFFBWAPBVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3S/c1-2-17(23)19-21-12-10-20(11-13-21)15-6-7-18-14-16(15)26(24,25)22-8-4-3-5-9-22/h6-7,14H,2-5,8-13H2,1H3,(H,19,23).
What are the key properties of N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]propanamide?
N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]propanamide has a molecular weight of 381.50 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 1214521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).