1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea

C17H20N4O2S — CID 119374573

IUPAC1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea
SMILESNC1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CC1
InChIInChI=1S/C17H20N4O2S/c18-12-8-10-21(11-9-12)16(22)14-6-7-15(24-14)20-17(23)19-13-4-2-1-3-5-13/h1-7,12H,8-11,18H2,(H2,19,20,23)
InChIKeyDIUZONMDIVBKSU-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.96
Rot. Bonds3

About 1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea

1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea (PubChem CID 119374573) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea
PubChem CID119374573
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea
SMILESNC1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CC1
InChIInChI=1S/C17H20N4O2S/c18-12-8-10-21(11-9-12)16(22)14-6-7-15(24-14)20-17(23)19-13-4-2-1-3-5-13/h1-7,12H,8-11,18H2,(H2,19,20,23)
InChIKeyDIUZONMDIVBKSU-UHFFFAOYSA-N
XLogP2.96
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]thiophen-2-yl]-3-phenylurea;hydrochloride
CID 119518568
1-phenyl-3-[5-(piperazine-1-carbonyl)thiophen-2-yl]urea
CID 119401684
6-[5-(phenylcarbamoylamino)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174428
1-phenyl-3-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]urea
CID 78846884
1-[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-3-phenylurea
CID 78849231
ethyl (2R)-1-[5-(phenylcarbamoylamino)thiophene-2-carbonyl]pyrrolidine-2-carboxylate
CID 97260222
1-[5-(2,3-dimethylpiperazine-1-carbonyl)thiophen-2-yl]-3-phenylurea;hydrochloride
CID 120573021
1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 43354183
(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62276124
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride
CID 119387776
N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78850266

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea?
The IUPAC name of 1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea (CID 119374573) is 1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea?
The canonical SMILES for 1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea is NC1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CC1.
What is the InChIKey of 1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea?
The InChIKey is DIUZONMDIVBKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c18-12-8-10-21(11-9-12)16(22)14-6-7-15(24-14)20-17(23)19-13-4-2-1-3-5-13/h1-7,12H,8-11,18H2,(H2,19,20,23).
What are the key properties of 1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea?
1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea has a molecular weight of 344.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea is sourced from PubChem (CID 119374573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).