N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide

C16H25N3O2S — CID 119482155

IUPACN-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)CCCc2cccs2)C1
InChIInChI=1S/C16H25N3O2S/c17-8-9-18-16(21)13-4-2-10-19(12-13)15(20)7-1-5-14-6-3-11-22-14/h3,6,11,13H,1-2,4-5,7-10,12,17H2,(H,18,21)
InChIKeyITAKVOLJTWZJTN-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.38
Rot. Bonds7

About N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide (PubChem CID 119482155) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide
PubChem CID119482155
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)CCCc2cccs2)C1
InChIInChI=1S/C16H25N3O2S/c17-8-9-18-16(21)13-4-2-10-19(12-13)15(20)7-1-5-14-6-3-11-22-14/h3,6,11,13H,1-2,4-5,7-10,12,17H2,(H,18,21)
InChIKeyITAKVOLJTWZJTN-UHFFFAOYSA-N
XLogP1.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide;hydrochloride
CID 119482272
ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate
CID 51681583
N-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide
CID 91953826
1-[(3S)-3-anilinopiperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 42216952
N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide
CID 119482463
N-(2-aminoethyl)-1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxamide
CID 119479232
N-(2-aminoethyl)-1-[3-(4-chlorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479751
N-(2-aminoethyl)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]piperidine-3-carboxamide
CID 119481551
N-(2-aminoethyl)-1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479231
N-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxamide
CID 119479550
N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide
CID 119479382
N-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide
CID 119480053

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide (CID 119482155) is N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)CCCc2cccs2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide?
The InChIKey is ITAKVOLJTWZJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c17-8-9-18-16(21)13-4-2-10-19(12-13)15(20)7-1-5-14-6-3-11-22-14/h3,6,11,13H,1-2,4-5,7-10,12,17H2,(H,18,21).
What are the key properties of N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 119482155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).