3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide

C22H30N4O2S — CID 60551889

IUPAC3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide
SMILESCC1CCN(C(CNC(=O)CC(NC(N)=O)c2cccs2)c2ccccc2)CC1
InChIInChI=1S/C22H30N4O2S/c1-16-9-11-26(12-10-16)19(17-6-3-2-4-7-17)15-24-21(27)14-18(25-22(23)28)20-8-5-13-29-20/h2-8,13,16,18-19H,9-12,14-15H2,1H3,(H,24,27)(H3,23,25,28)
InChIKeyQKOANUFEGMKVDR-UHFFFAOYSA-N
MW414.58 g/mol
LogP3.44
Rot. Bonds8

About 3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide

3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide (PubChem CID 60551889) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide
PubChem CID60551889
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC Name3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide
SMILESCC1CCN(C(CNC(=O)CC(NC(N)=O)c2cccs2)c2ccccc2)CC1
InChIInChI=1S/C22H30N4O2S/c1-16-9-11-26(12-10-16)19(17-6-3-2-4-7-17)15-24-21(27)14-18(25-22(23)28)20-8-5-13-29-20/h2-8,13,16,18-19H,9-12,14-15H2,1H3,(H,24,27)(H3,23,25,28)
InChIKeyQKOANUFEGMKVDR-UHFFFAOYSA-N
XLogP3.44
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide
CID 134057478
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide
CID 119830777
N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 30524266
4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830784
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 119860442
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide
CID 92584194
3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide
CID 134024602
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide
CID 46979800
3-(carbamoylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(3-methylphenyl)propanamide
CID 47029153
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide;hydrochloride
CID 119526404
N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 46522585

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide (CID 60551889) is 3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide is CC1CCN(C(CNC(=O)CC(NC(N)=O)c2cccs2)c2ccccc2)CC1.
What is the InChIKey of 3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is QKOANUFEGMKVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-16-9-11-26(12-10-16)19(17-6-3-2-4-7-17)15-24-21(27)14-18(25-22(23)28)20-8-5-13-29-20/h2-8,13,16,18-19H,9-12,14-15H2,1H3,(H,24,27)(H3,23,25,28).
What are the key properties of 3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide?
3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 414.58 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 60551889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).