1-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

C16H30N4O4S — CID 22552784

IUPAC1-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCN1CCCC1)C1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C16H30N4O4S/c21-16(17-5-9-18-6-1-2-7-18)15-4-3-8-20(14-15)25(22,23)19-10-12-24-13-11-19/h15H,1-14H2,(H,17,21)
InChIKeySVYHSPPOOBCVSG-UHFFFAOYSA-N
MW374.51 g/mol
LogP-0.51
Rot. Bonds6

About 1-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

1-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (PubChem CID 22552784) has the molecular formula C16H30N4O4S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
PubChem CID22552784
Molecular FormulaC16H30N4O4S
Molecular Weight374.51 g/mol
Exact Mass374.20
IUPAC Name1-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCN1CCCC1)C1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C16H30N4O4S/c21-16(17-5-9-18-6-1-2-7-18)15-4-3-8-20(14-15)25(22,23)19-10-12-24-13-11-19/h15H,1-14H2,(H,17,21)
InChIKeySVYHSPPOOBCVSG-UHFFFAOYSA-N
XLogP-0.51
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (CID 22552784) is 1-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is O=C(NCCN1CCCC1)C1CCCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of 1-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is SVYHSPPOOBCVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O4S/c21-16(17-5-9-18-6-1-2-7-18)15-4-3-8-20(14-15)25(22,23)19-10-12-24-13-11-19/h15H,1-14H2,(H,17,21).
What are the key properties of 1-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
1-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 374.51 g/mol, XLogP of -0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 22552784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).