N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]thiomorpholine-4-carboxamide

C17H26N4OS — CID 75442069

IUPACN-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]thiomorpholine-4-carboxamide
SMILESO=C(NCCC1CCN(c2ccncc2)CC1)N1CCSCC1
InChIInChI=1S/C17H26N4OS/c22-17(21-11-13-23-14-12-21)19-8-1-15-4-9-20(10-5-15)16-2-6-18-7-3-16/h2-3,6-7,15H,1,4-5,8-14H2,(H,19,22)
InChIKeyFOQCMFPDELDPKA-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.45
Rot. Bonds4

About N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]thiomorpholine-4-carboxamide

N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]thiomorpholine-4-carboxamide (PubChem CID 75442069) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]thiomorpholine-4-carboxamide
PubChem CID75442069
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC NameN-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]thiomorpholine-4-carboxamide
SMILESO=C(NCCC1CCN(c2ccncc2)CC1)N1CCSCC1
InChIInChI=1S/C17H26N4OS/c22-17(21-11-13-23-14-12-21)19-8-1-15-4-9-20(10-5-15)16-2-6-18-7-3-16/h2-3,6-7,15H,1,4-5,8-14H2,(H,19,22)
InChIKeyFOQCMFPDELDPKA-UHFFFAOYSA-N
XLogP2.45
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]thiomorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pyridin-2-yl-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea
CID 154859659
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide
CID 138004864
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
3-(4-chloro-1H-benzimidazol-2-yl)-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]piperidine-1-carboxamide
CID 58808158
4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 47016737
2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethylurea
CID 83110952
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
2-(1-pyridin-4-ylpiperidin-4-yl)acetate
CID 18918250
1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 86263594
2-(1-pyridin-4-ylpiperidin-4-yl)acetyl chloride;hydrochloride
CID 22721805
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 162370226

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]thiomorpholine-4-carboxamide (CID 75442069) is N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]thiomorpholine-4-carboxamide is O=C(NCCC1CCN(c2ccncc2)CC1)N1CCSCC1.
What is the InChIKey of N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]thiomorpholine-4-carboxamide?
The InChIKey is FOQCMFPDELDPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c22-17(21-11-13-23-14-12-21)19-8-1-15-4-9-20(10-5-15)16-2-6-18-7-3-16/h2-3,6-7,15H,1,4-5,8-14H2,(H,19,22).
What are the key properties of N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]thiomorpholine-4-carboxamide?
N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]thiomorpholine-4-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 75442069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).