4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide

C18H29N5O3S — CID 1214480

IUPAC4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H29N5O3S/c1-15(2)20-18(24)22-12-10-21(11-13-22)16-6-7-19-14-17(16)27(25,26)23-8-4-3-5-9-23/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,20,24)
InChIKeyDFOYVKXDWRPOKQ-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.50
Rot. Bonds4

About 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide

4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 1214480) has the molecular formula C18H29N5O3S and a molecular weight of 395.53 g/mol. Its IUPAC name is 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID1214480
Molecular FormulaC18H29N5O3S
Molecular Weight395.53 g/mol
Exact Mass395.20
IUPAC Name4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H29N5O3S/c1-15(2)20-18(24)22-12-10-21(11-13-22)16-6-7-19-14-17(16)27(25,26)23-8-4-3-5-9-23/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,20,24)
InChIKeyDFOYVKXDWRPOKQ-UHFFFAOYSA-N
XLogP1.50
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide (CID 1214480) is 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is DFOYVKXDWRPOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3S/c1-15(2)20-18(24)22-12-10-21(11-13-22)16-6-7-19-14-17(16)27(25,26)23-8-4-3-5-9-23/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,20,24).
What are the key properties of 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide?
4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 1214480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).