3-(carbamoylamino)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide

C14H22N4O2S — CID 119443018

IUPAC3-(carbamoylamino)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide
SMILESCN(C(=O)CC(NC(N)=O)c1cccs1)C1CCNCC1
InChIInChI=1S/C14H22N4O2S/c1-18(10-4-6-16-7-5-10)13(19)9-11(17-14(15)20)12-3-2-8-21-12/h2-3,8,10-11,16H,4-7,9H2,1H3,(H3,15,17,20)
InChIKeyPMVXBPJIOPUGCH-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.06
Rot. Bonds5

About 3-(carbamoylamino)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide

3-(carbamoylamino)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide (PubChem CID 119443018) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide
PubChem CID119443018
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name3-(carbamoylamino)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide
SMILESCN(C(=O)CC(NC(N)=O)c1cccs1)C1CCNCC1
InChIInChI=1S/C14H22N4O2S/c1-18(10-4-6-16-7-5-10)13(19)9-11(17-14(15)20)12-3-2-8-21-12/h2-3,8,10-11,16H,4-7,9H2,1H3,(H3,15,17,20)
InChIKeyPMVXBPJIOPUGCH-UHFFFAOYSA-N
XLogP1.06
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide
CID 95156252
3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442701
N-[2-(tert-butylamino)-2-oxoethyl]-3-(carbamoylamino)-N-methyl-3-thiophen-2-ylpropanamide
CID 86915677
N-methyl-N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)acetamide
CID 119443055
[3-(3-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea
CID 119578761
(3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide
CID 26026931
3-(carbamoylamino)-N-(3-methylbutan-2-yl)-3-thiophen-2-ylpropanamide
CID 47137941
(3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide
CID 94193166
3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119551193
N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride
CID 119442471
methyl 3-(piperidine-4-carbonylamino)-3-thiophen-2-ylpropanoate
CID 43709862
[3-(2-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea;hydrochloride
CID 119471960

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-(carbamoylamino)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide (CID 119443018) is 3-(carbamoylamino)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide is CN(C(=O)CC(NC(N)=O)c1cccs1)C1CCNCC1.
What is the InChIKey of 3-(carbamoylamino)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide?
The InChIKey is PMVXBPJIOPUGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-18(10-4-6-16-7-5-10)13(19)9-11(17-14(15)20)12-3-2-8-21-12/h2-3,8,10-11,16H,4-7,9H2,1H3,(H3,15,17,20).
What are the key properties of 3-(carbamoylamino)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide?
3-(carbamoylamino)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide has a molecular weight of 310.42 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 119443018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).