[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone

C15H18N4OS — CID 23587399

IUPAC[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
SMILESNCc1cccc(C2CCN(C(=O)c3csnn3)CC2)c1
InChIInChI=1S/C15H18N4OS/c16-9-11-2-1-3-13(8-11)12-4-6-19(7-5-12)15(20)14-10-21-18-17-14/h1-3,8,10,12H,4-7,9,16H2
InChIKeyUSAOKLSOEBAMAX-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.02
Rot. Bonds3

About [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone (PubChem CID 23587399) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
PubChem CID23587399
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
SMILESNCc1cccc(C2CCN(C(=O)c3csnn3)CC2)c1
InChIInChI=1S/C15H18N4OS/c16-9-11-2-1-3-13(8-11)12-4-6-19(7-5-12)15(20)14-10-21-18-17-14/h1-3,8,10,12H,4-7,9,16H2
InChIKeyUSAOKLSOEBAMAX-UHFFFAOYSA-N
XLogP2.02
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[4-(2-phenylethynyl)thiophen-2-yl]methanone
CID 22266041
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone
CID 139986726
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone
CID 22265908
[2-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]quinolin-6-yl]boronic acid
CID 90206990
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 23587338
3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one
CID 22265985
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 23587301
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 23587319
(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412

Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone?
The IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone (CID 23587399) is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone.
What is the SMILES notation for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone?
The canonical SMILES for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone is NCc1cccc(C2CCN(C(=O)c3csnn3)CC2)c1.
What is the InChIKey of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone?
The InChIKey is USAOKLSOEBAMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c16-9-11-2-1-3-13(8-11)12-4-6-19(7-5-12)15(20)14-10-21-18-17-14/h1-3,8,10,12H,4-7,9,16H2.
What are the key properties of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone?
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone has a molecular weight of 302.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 23587399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).