N-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide

C16H17N5O3S — CID 53335990

IUPACN-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2sccc2NC(=O)c2cnccn2)CC1
InChIInChI=1S/C16H17N5O3S/c17-14(22)10-1-6-21(7-2-10)16(24)13-11(3-8-25-13)20-15(23)12-9-18-4-5-19-12/h3-5,8-10H,1-2,6-7H2,(H2,17,22)(H,20,23)
InChIKeyBCLWOFNRNWUTKY-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.13
Rot. Bonds4

About N-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide

N-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide (PubChem CID 53335990) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
PubChem CID53335990
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC NameN-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2sccc2NC(=O)c2cnccn2)CC1
InChIInChI=1S/C16H17N5O3S/c17-14(22)10-1-6-21(7-2-10)16(24)13-11(3-8-25-13)20-15(23)12-9-18-4-5-19-12/h3-5,8-10H,1-2,6-7H2,(H2,17,22)(H,20,23)
InChIKeyBCLWOFNRNWUTKY-UHFFFAOYSA-N
XLogP1.13
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335980
N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335996
N-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336035
N-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336017
N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336004
N-[2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336010
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336001
N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335949
N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335961
N-[2-(2-morpholin-4-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335963
1-N-pyrazin-2-ylpiperidine-1,4-dicarboxamide
CID 110492224
N-[2-[(3,5-difluorophenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53335924

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide (CID 53335990) is N-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide is NC(=O)C1CCN(C(=O)c2sccc2NC(=O)c2cnccn2)CC1.
What is the InChIKey of N-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide?
The InChIKey is BCLWOFNRNWUTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c17-14(22)10-1-6-21(7-2-10)16(24)13-11(3-8-25-13)20-15(23)12-9-18-4-5-19-12/h3-5,8-10H,1-2,6-7H2,(H2,17,22)(H,20,23).
What are the key properties of N-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide?
N-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 53335990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).