3-(carbamoylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-thiophen-2-ylpropanamide

C20H32N4O2S — CID 134057065

IUPAC3-(carbamoylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-thiophen-2-ylpropanamide
SMILESNC(=O)NC(CC(=O)NCC1(N2CCCCC2)CCCCC1)c1cccs1
InChIInChI=1S/C20H32N4O2S/c21-19(26)23-16(17-8-7-13-27-17)14-18(25)22-15-20(9-3-1-4-10-20)24-11-5-2-6-12-24/h7-8,13,16H,1-6,9-12,14-15H2,(H,22,25)(H3,21,23,26)
InChIKeyMSPVPATYMGRSRZ-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.15
Rot. Bonds7

About 3-(carbamoylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-thiophen-2-ylpropanamide

3-(carbamoylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 134057065) has the molecular formula C20H32N4O2S and a molecular weight of 392.57 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-thiophen-2-ylpropanamide
PubChem CID134057065
Molecular FormulaC20H32N4O2S
Molecular Weight392.57 g/mol
Exact Mass392.22
IUPAC Name3-(carbamoylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-thiophen-2-ylpropanamide
SMILESNC(=O)NC(CC(=O)NCC1(N2CCCCC2)CCCCC1)c1cccs1
InChIInChI=1S/C20H32N4O2S/c21-19(26)23-16(17-8-7-13-27-17)14-18(25)22-15-20(9-3-1-4-10-20)24-11-5-2-6-12-24/h7-8,13,16H,1-6,9-12,14-15H2,(H,22,25)(H3,21,23,26)
InChIKeyMSPVPATYMGRSRZ-UHFFFAOYSA-N
XLogP3.15
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.15
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-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea
CID 42931435
3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide
CID 115643278
N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 119407113
(3R)-3-(carbamoylamino)-N-(1-phenylcyclobutyl)-3-thiophen-2-ylpropanamide
CID 94809089
N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-thiophen-2-ylethanamine
CID 43100305
(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-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide
CID 60551889
3-(carbamoylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-3-thiophen-2-ylpropanamide
CID 56809727
[3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea
CID 134011246

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-(carbamoylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-thiophen-2-ylpropanamide (CID 134057065) is 3-(carbamoylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-thiophen-2-ylpropanamide is NC(=O)NC(CC(=O)NCC1(N2CCCCC2)CCCCC1)c1cccs1.
What is the InChIKey of 3-(carbamoylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is MSPVPATYMGRSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2S/c21-19(26)23-16(17-8-7-13-27-17)14-18(25)22-15-20(9-3-1-4-10-20)24-11-5-2-6-12-24/h7-8,13,16H,1-6,9-12,14-15H2,(H,22,25)(H3,21,23,26).
What are the key properties of 3-(carbamoylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-thiophen-2-ylpropanamide?
3-(carbamoylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 392.57 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 134057065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).