N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide

C16H23N3OS — CID 97308581

IUPACN-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
SMILESC[C@H](c1ccsc1)N1CCN(C(=O)NC2CC=CC2)CC1
InChIInChI=1S/C16H23N3OS/c1-13(14-6-11-21-12-14)18-7-9-19(10-8-18)16(20)17-15-4-2-3-5-15/h2-3,6,11-13,15H,4-5,7-10H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeyTWFZGZQEFROGNI-CYBMUJFWSA-N
MW305.45 g/mol
LogP2.85
Rot. Bonds3

About N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide

N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide (PubChem CID 97308581) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
PubChem CID97308581
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
SMILESC[C@H](c1ccsc1)N1CCN(C(=O)NC2CC=CC2)CC1
InChIInChI=1S/C16H23N3OS/c1-13(14-6-11-21-12-14)18-7-9-19(10-8-18)16(20)17-15-4-2-3-5-15/h2-3,6,11-13,15H,4-5,7-10H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeyTWFZGZQEFROGNI-CYBMUJFWSA-N
XLogP2.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide with MolForge

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Related Compounds

cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 86793524
N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 97308401
N-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 75523393
N-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide
CID 131960827
(5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 75508127
(2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one
CID 99625769
oxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 91660630
2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone
CID 86793513
1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62089674
(3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone
CID 99627550
N-propyl-1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 55126416
1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride
CID 171280726

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide (CID 97308581) is N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide is C[C@H](c1ccsc1)N1CCN(C(=O)NC2CC=CC2)CC1.
What is the InChIKey of N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide?
The InChIKey is TWFZGZQEFROGNI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-13(14-6-11-21-12-14)18-7-9-19(10-8-18)16(20)17-15-4-2-3-5-15/h2-3,6,11-13,15H,4-5,7-10H2,1H3,(H,17,20)/t13-/m1/s1.
What are the key properties of N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide?
N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide has a molecular weight of 305.45 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 97308581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).