3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide

C17H27N5O3S — CID 120578515

IUPAC3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)CC(NC(N)=O)c1cccs1
InChIInChI=1S/C17H27N5O3S/c18-7-6-15(23)20-11-12-4-1-2-8-22(12)16(24)10-13(21-17(19)25)14-5-3-9-26-14/h3,5,9,12-13H,1-2,4,6-8,10-11,18H2,(H,20,23)(H3,19,21,25)
InChIKeyCOEUKUXZJTZDBA-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.69
Rot. Bonds8

About 3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120578515) has the molecular formula C17H27N5O3S and a molecular weight of 381.50 g/mol. Its IUPAC name is 3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide
PubChem CID120578515
Molecular FormulaC17H27N5O3S
Molecular Weight381.50 g/mol
Exact Mass381.18
IUPAC Name3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)CC(NC(N)=O)c1cccs1
InChIInChI=1S/C17H27N5O3S/c18-7-6-15(23)20-11-12-4-1-2-8-22(12)16(24)10-13(21-17(19)25)14-5-3-9-26-14/h3,5,9,12-13H,1-2,4,6-8,10-11,18H2,(H,20,23)(H3,19,21,25)
InChIKeyCOEUKUXZJTZDBA-UHFFFAOYSA-N
XLogP0.69
TPSA130.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide with MolForge

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Related Compounds

3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578514
(2R)-1-[(3S)-3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid
CID 125118766
3-amino-N-[[1-[2-(5-bromothiophen-2-yl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120579347
[3-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea
CID 42931435
3-amino-N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120578635
3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide
CID 134057478
3-amino-N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579480
3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120579429
3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578716
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911439
N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 120578831
3-amino-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579244

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide (CID 120578515) is 3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1C(=O)CC(NC(N)=O)c1cccs1.
What is the InChIKey of 3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is COEUKUXZJTZDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3S/c18-7-6-15(23)20-11-12-4-1-2-8-22(12)16(24)10-13(21-17(19)25)14-5-3-9-26-14/h3,5,9,12-13H,1-2,4,6-8,10-11,18H2,(H,20,23)(H3,19,21,25).
What are the key properties of 3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 381.50 g/mol, XLogP of 0.69, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120578515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).