1-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide

C19H29N5O4S — CID 69358116

IUPAC1-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCS(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2)CC1
InChIInChI=1S/C19H29N5O4S/c20-18(25)16-4-8-22(9-5-16)7-2-14-29(27,28)24-12-10-23(11-13-24)19(26)17-3-1-6-21-15-17/h1,3,6,15-16H,2,4-5,7-14H2,(H2,20,25)
InChIKeyLQKBYJDWPNPWNX-UHFFFAOYSA-N
MW423.54 g/mol
LogP-0.24
Rot. Bonds7

About 1-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide

1-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide (PubChem CID 69358116) has the molecular formula C19H29N5O4S and a molecular weight of 423.54 g/mol. Its IUPAC name is 1-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide
PubChem CID69358116
Molecular FormulaC19H29N5O4S
Molecular Weight423.54 g/mol
Exact Mass423.19
IUPAC Name1-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCS(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2)CC1
InChIInChI=1S/C19H29N5O4S/c20-18(25)16-4-8-22(9-5-16)7-2-14-29(27,28)24-12-10-23(11-13-24)19(26)17-3-1-6-21-15-17/h1,3,6,15-16H,2,4-5,7-14H2,(H2,20,25)
InChIKeyLQKBYJDWPNPWNX-UHFFFAOYSA-N
XLogP-0.24
TPSA116.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-phenylethylsulfonyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 110364647
3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 826549
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
1-[3-[4-(2-methylpropyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide
CID 69356286
[4-(2-chloroethyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 82032366
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
(4-benzylsulfonyl-1,4-diazepan-1-yl)-pyridin-3-ylmethanone
CID 110798876
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
but-2-enedioic acid;3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 171150767
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide (CID 69358116) is 1-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCCS(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2)CC1.
What is the InChIKey of 1-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide?
The InChIKey is LQKBYJDWPNPWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4S/c20-18(25)16-4-8-22(9-5-16)7-2-14-29(27,28)24-12-10-23(11-13-24)19(26)17-3-1-6-21-15-17/h1,3,6,15-16H,2,4-5,7-14H2,(H2,20,25).
What are the key properties of 1-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide?
1-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide has a molecular weight of 423.54 g/mol, XLogP of -0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 69358116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).