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

C17H28ClN5O3S — CID 120578514

IUPAC3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)CC(NC(N)=O)c1cccs1
InChIInChI=1S/C17H27N5O3S.ClH/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);1H
InChIKeyNVSRSWNFSCQMHV-UHFFFAOYSA-N
MW417.96 g/mol
LogP1.12
Rot. Bonds8

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

3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120578514) has the molecular formula C17H28ClN5O3S and a molecular weight of 417.96 g/mol. Its IUPAC name is 3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120578514
Molecular FormulaC17H28ClN5O3S
Molecular Weight417.96 g/mol
Exact Mass417.16
IUPAC Name3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)CC(NC(N)=O)c1cccs1
InChIInChI=1S/C17H27N5O3S.ClH/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);1H
InChIKeyNVSRSWNFSCQMHV-UHFFFAOYSA-N
XLogP1.12
TPSA130.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.96
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide
CID 120578515
(2R)-1-[(3S)-3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid
CID 125118766
3-amino-N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579480
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
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-bromophenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578254
3-amino-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579244
3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579242
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120578514) is 3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.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;hydrochloride?
The InChIKey is NVSRSWNFSCQMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3S.ClH/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);1H.
What are the key properties of 3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 417.96 g/mol, XLogP of 1.12, 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;hydrochloride is sourced from PubChem (CID 120578514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).