N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-piperidin-4-ylbutanamide

C18H33N3O2S — CID 119862801

IUPACN-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC1(N2CCOCC2)CCSC1)C1CCNCC1
InChIInChI=1S/C18H33N3O2S/c1-15(16-2-5-19-6-3-16)12-17(22)20-13-18(4-11-24-14-18)21-7-9-23-10-8-21/h15-16,19H,2-14H2,1H3,(H,20,22)
InChIKeyWHKZTARCWJCSGZ-UHFFFAOYSA-N
MW355.55 g/mol
LogP1.34
Rot. Bonds6

About N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-piperidin-4-ylbutanamide

N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-piperidin-4-ylbutanamide (PubChem CID 119862801) has the molecular formula C18H33N3O2S and a molecular weight of 355.55 g/mol. Its IUPAC name is N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-piperidin-4-ylbutanamide
PubChem CID119862801
Molecular FormulaC18H33N3O2S
Molecular Weight355.55 g/mol
Exact Mass355.23
IUPAC NameN-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC1(N2CCOCC2)CCSC1)C1CCNCC1
InChIInChI=1S/C18H33N3O2S/c1-15(16-2-5-19-6-3-16)12-17(22)20-13-18(4-11-24-14-18)21-7-9-23-10-8-21/h15-16,19H,2-14H2,1H3,(H,20,22)
InChIKeyWHKZTARCWJCSGZ-UHFFFAOYSA-N
XLogP1.34
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-piperidin-4-ylbutanamide (CID 119862801) is N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCC1(N2CCOCC2)CCSC1)C1CCNCC1.
What is the InChIKey of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-piperidin-4-ylbutanamide?
The InChIKey is WHKZTARCWJCSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2S/c1-15(16-2-5-19-6-3-16)12-17(22)20-13-18(4-11-24-14-18)21-7-9-23-10-8-21/h15-16,19H,2-14H2,1H3,(H,20,22).
What are the key properties of N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-piperidin-4-ylbutanamide?
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-piperidin-4-ylbutanamide has a molecular weight of 355.55 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119862801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).