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

C17H27N5O4S — CID 1214483

IUPAC4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2ccncc2S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H27N5O4S/c1-14(2)19-17(23)21-7-5-20(6-8-21)15-3-4-18-13-16(15)27(24,25)22-9-11-26-12-10-22/h3-4,13-14H,5-12H2,1-2H3,(H,19,23)
InChIKeyHCNMYIOLLLUCCQ-UHFFFAOYSA-N
MW397.50 g/mol
LogP0.34
Rot. Bonds4

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

4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 1214483) has the molecular formula C17H27N5O4S and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID1214483
Molecular FormulaC17H27N5O4S
Molecular Weight397.50 g/mol
Exact Mass397.18
IUPAC Name4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2ccncc2S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H27N5O4S/c1-14(2)19-17(23)21-7-5-20(6-8-21)15-3-4-18-13-16(15)27(24,25)22-9-11-26-12-10-22/h3-4,13-14H,5-12H2,1-2H3,(H,19,23)
InChIKeyHCNMYIOLLLUCCQ-UHFFFAOYSA-N
XLogP0.34
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide (CID 1214483) is 4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCN(c2ccncc2S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is HCNMYIOLLLUCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O4S/c1-14(2)19-17(23)21-7-5-20(6-8-21)15-3-4-18-13-16(15)27(24,25)22-9-11-26-12-10-22/h3-4,13-14H,5-12H2,1-2H3,(H,19,23).
What are the key properties of 4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide?
4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 1214483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).