N-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide

C17H22N4O3S — CID 32697229

IUPACN-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
SMILESN#Cc1ccsc1NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C17H22N4O3S/c18-12-13-4-11-25-16(13)19-15(22)3-5-20-6-8-21(9-7-20)17(23)14-2-1-10-24-14/h4,11,14H,1-3,5-10H2,(H,19,22)/t14-/m0/s1
InChIKeyHJOPQAVPDBQCHD-AWEZNQCLSA-N
MW362.46 g/mol
LogP1.27
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide

N-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide (PubChem CID 32697229) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
PubChem CID32697229
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
SMILESN#Cc1ccsc1NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C17H22N4O3S/c18-12-13-4-11-25-16(13)19-15(22)3-5-20-6-8-21(9-7-20)17(23)14-2-1-10-24-14/h4,11,14H,1-3,5-10H2,(H,19,22)/t14-/m0/s1
InChIKeyHJOPQAVPDBQCHD-AWEZNQCLSA-N
XLogP1.27
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-acetylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 8904188
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide
CID 24589097
3-(4-acetyl-1,4-diazepan-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 34927459
(2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide
CID 41427173
N-(3-cyanothiophen-2-yl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340948
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 86911173
N-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 86976852
3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 79867752
2-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 51172922
N-(3-cyanothiophen-2-yl)-3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 18283787
N-(3-cyanothiophen-2-yl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]propanamide
CID 24618088
N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 27525282

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide (CID 32697229) is N-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide is N#Cc1ccsc1NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide?
The InChIKey is HJOPQAVPDBQCHD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O3S/c18-12-13-4-11-25-16(13)19-15(22)3-5-20-6-8-21(9-7-20)17(23)14-2-1-10-24-14/h4,11,14H,1-3,5-10H2,(H,19,22)/t14-/m0/s1.
What are the key properties of N-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide?
N-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide has a molecular weight of 362.46 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 32697229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).