3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide

C15H28N2OS — CID 115738728

IUPAC3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide
SMILESCC(CC(=O)NCC1CCSCC1)C1CCCNC1
InChIInChI=1S/C15H28N2OS/c1-12(14-3-2-6-16-11-14)9-15(18)17-10-13-4-7-19-8-5-13/h12-14,16H,2-11H2,1H3,(H,17,18)
InChIKeyONUWWMPECGWKQZ-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.27
Rot. Bonds5

About 3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide

3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide (PubChem CID 115738728) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide
PubChem CID115738728
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide
SMILESCC(CC(=O)NCC1CCSCC1)C1CCCNC1
InChIInChI=1S/C15H28N2OS/c1-12(14-3-2-6-16-11-14)9-15(18)17-10-13-4-7-19-8-5-13/h12-14,16H,2-11H2,1H3,(H,17,18)
InChIKeyONUWWMPECGWKQZ-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 81047419
N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 122080829
N-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-3-ylbutanamide
CID 81044187
N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide
CID 81044042
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide
CID 119785752
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide
CID 81049792
N-(cyanomethyl)-3-piperidin-3-ylbutanamide
CID 81044352
N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81044622
N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-3-ylbutanamide
CID 103809934
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide?
The IUPAC name of 3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide (CID 115738728) is 3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide?
The canonical SMILES for 3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide is CC(CC(=O)NCC1CCSCC1)C1CCCNC1.
What is the InChIKey of 3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide?
The InChIKey is ONUWWMPECGWKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-12(14-3-2-6-16-11-14)9-15(18)17-10-13-4-7-19-8-5-13/h12-14,16H,2-11H2,1H3,(H,17,18).
What are the key properties of 3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide?
3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide has a molecular weight of 284.47 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide is sourced from PubChem (CID 115738728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).