N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

C19H28N4O3S — CID 60569853

IUPACN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(NCCN1CCc2sccc2C1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C19H28N4O3S/c24-18(16-2-1-12-26-16)22-8-10-23(11-9-22)19(25)20-5-7-21-6-3-17-15(14-21)4-13-27-17/h4,13,16H,1-3,5-12,14H2,(H,20,25)
InChIKeyPRYJSTCXMWGTOA-UHFFFAOYSA-N
MW392.53 g/mol
LogP1.14
Rot. Bonds4

About N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (PubChem CID 60569853) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
PubChem CID60569853
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(NCCN1CCc2sccc2C1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C19H28N4O3S/c24-18(16-2-1-12-26-16)22-8-10-23(11-9-22)19(25)20-5-7-21-6-3-17-15(14-21)4-13-27-17/h4,13,16H,1-3,5-12,14H2,(H,20,25)
InChIKeyPRYJSTCXMWGTOA-UHFFFAOYSA-N
XLogP1.14
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-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

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 60569564
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60569928
3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-1-[2-methyl-4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 46214414
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride
CID 119862338
(2S,5R)-5-(aminomethyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120798949
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111409549
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251
2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 26516446
N-[(4-methylphenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 43053198
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 94435857
4-(azepane-1-carbonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidine-1-carboxamide
CID 86882077
[(2S)-oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95129829

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (CID 60569853) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is O=C(NCCN1CCc2sccc2C1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is PRYJSTCXMWGTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c24-18(16-2-1-12-26-16)22-8-10-23(11-9-22)19(25)20-5-7-21-6-3-17-15(14-21)4-13-27-17/h4,13,16H,1-3,5-12,14H2,(H,20,25).
What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 60569853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).