N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide

C18H27N3O3S — CID 91773911

IUPACN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)NC1CCN(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C18H27N3O3S/c22-18(4-3-15-2-1-9-19-14-15)20-16-5-10-21(11-6-16)17-7-12-25(23,24)13-8-17/h1-2,9,14,16-17H,3-8,10-13H2,(H,20,22)
InChIKeyPLEVMRSVUMXSJP-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.17
Rot. Bonds5

About N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide

N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide (PubChem CID 91773911) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide
PubChem CID91773911
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)NC1CCN(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C18H27N3O3S/c22-18(4-3-15-2-1-9-19-14-15)20-16-5-10-21(11-6-16)17-7-12-25(23,24)13-8-17/h1-2,9,14,16-17H,3-8,10-13H2,(H,20,22)
InChIKeyPLEVMRSVUMXSJP-UHFFFAOYSA-N
XLogP1.17
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-3-pyridin-3-ylpropanamide
CID 77081879
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
CID 31369357
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide
CID 118771156
3-(4-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341221
3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341222
N-(4-hydroxycyclohexyl)-4-pyridin-3-ylbutanamide
CID 115277500
N-(1,1-dioxothiolan-3-yl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023628
N-(1-cyclohexylpiperidin-3-yl)-2-pyridin-3-ylacetamide
CID 118788376
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide
CID 37294420
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612227
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide (CID 91773911) is N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)NC1CCN(C2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide?
The InChIKey is PLEVMRSVUMXSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c22-18(4-3-15-2-1-9-19-14-15)20-16-5-10-21(11-6-16)17-7-12-25(23,24)13-8-17/h1-2,9,14,16-17H,3-8,10-13H2,(H,20,22).
What are the key properties of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide?
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 365.50 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 91773911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).