3-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide

C22H34N2OS — CID 56717845

IUPAC3-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide
SMILESO=C(CCC1CCCN(Cc2ccc(C3CCCCC3)s2)C1)NC1CC1
InChIInChI=1S/C22H34N2OS/c25-22(23-19-9-10-19)13-8-17-5-4-14-24(15-17)16-20-11-12-21(26-20)18-6-2-1-3-7-18/h11-12,17-19H,1-10,13-16H2,(H,23,25)
InChIKeyAHXBDWHZYZBKGX-UHFFFAOYSA-N
MW374.59 g/mol
LogP5.07
Rot. Bonds7

About 3-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide

3-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide (PubChem CID 56717845) has the molecular formula C22H34N2OS and a molecular weight of 374.59 g/mol. Its IUPAC name is 3-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide
PubChem CID56717845
Molecular FormulaC22H34N2OS
Molecular Weight374.59 g/mol
Exact Mass374.24
IUPAC Name3-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide
SMILESO=C(CCC1CCCN(Cc2ccc(C3CCCCC3)s2)C1)NC1CC1
InChIInChI=1S/C22H34N2OS/c25-22(23-19-9-10-19)13-8-17-5-4-14-24(15-17)16-20-11-12-21(26-20)18-6-2-1-3-7-18/h11-12,17-19H,1-10,13-16H2,(H,23,25)
InChIKeyAHXBDWHZYZBKGX-UHFFFAOYSA-N
XLogP5.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.59
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25456108
N-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide
CID 45210494
N-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 26318359
N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide
CID 42358991
3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide
CID 45238209
N-cyclopropyl-3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]propanamide
CID 45180081
1-[(5-cyclopentylthiophen-2-yl)methyl]pyrrolidin-3-amine
CID 77092531
3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42288549
N-cyclopropyl-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
CID 45207272
N-cyclopropyl-3-[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide
CID 42514353
1-[(5-cyclohexylthiophen-2-yl)methyl]-3-methoxypyrrolidine
CID 77090707
3-[3-(cycloheptylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 53138024

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide (CID 56717845) is 3-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide is O=C(CCC1CCCN(Cc2ccc(C3CCCCC3)s2)C1)NC1CC1.
What is the InChIKey of 3-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide?
The InChIKey is AHXBDWHZYZBKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2OS/c25-22(23-19-9-10-19)13-8-17-5-4-14-24(15-17)16-20-11-12-21(26-20)18-6-2-1-3-7-18/h11-12,17-19H,1-10,13-16H2,(H,23,25).
What are the key properties of 3-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide?
3-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide has a molecular weight of 374.59 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 56717845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).