N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide

C16H19N3OS — CID 17185519

IUPACN-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H19N3OS/c20-16(17-14-5-2-1-3-6-14)19-10-8-18(9-11-19)13-15-7-4-12-21-15/h1-7,12H,8-11,13H2,(H,17,20)
InChIKeyQXNXASUVDMAXSE-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.10
Rot. Bonds3

About N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide

N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 17185519) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
PubChem CID17185519
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H19N3OS/c20-16(17-14-5-2-1-3-6-14)19-10-8-18(9-11-19)13-15-7-4-12-21-15/h1-7,12H,8-11,13H2,(H,17,20)
InChIKeyQXNXASUVDMAXSE-UHFFFAOYSA-N
XLogP3.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 38275398
N-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 38275394
(2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720809
(5R)-2-ethyl-3-oxo-N-phenyl-10-(thiophen-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97360284
N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185587
N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30464344
N-(4-iodophenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 23824710
N-pentan-3-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 134001749
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201
N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 51186037
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 146037585
N-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133313428

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide (CID 17185519) is N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is QXNXASUVDMAXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(17-14-5-2-1-3-6-14)19-10-8-18(9-11-19)13-15-7-4-12-21-15/h1-7,12H,8-11,13H2,(H,17,20).
What are the key properties of N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 17185519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).