N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

C20H31N3O3S — CID 120599611

IUPACN-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC1CC(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCN1
InChIInChI=1S/C20H31N3O3S/c1-16-15-18(11-12-21-16)22-20(24)10-7-17-5-8-19(9-6-17)27(25,26)23-13-3-2-4-14-23/h5-6,8-9,16,18,21H,2-4,7,10-15H2,1H3,(H,22,24)
InChIKeyKINPLIBDCOKGBX-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.05
Rot. Bonds6

About N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 120599611) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID120599611
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC NameN-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC1CC(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCN1
InChIInChI=1S/C20H31N3O3S/c1-16-15-18(11-12-21-16)22-20(24)10-7-17-5-8-19(9-6-17)27(25,26)23-13-3-2-4-14-23/h5-6,8-9,16,18,21H,2-4,7,10-15H2,1H3,(H,22,24)
InChIKeyKINPLIBDCOKGBX-UHFFFAOYSA-N
XLogP2.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119450862
N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119450219
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide
CID 119424951
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 24621442
3-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600010
3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide
CID 119390011
3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119576915
3-(4-piperidin-1-ylsulfonylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119511221
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119425534
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55735412
N-(2-acetamidoethyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide
CID 9204753

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 120599611) is N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is CC1CC(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is KINPLIBDCOKGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-16-15-18(11-12-21-16)22-20(24)10-7-17-5-8-19(9-6-17)27(25,26)23-13-3-2-4-14-23/h5-6,8-9,16,18,21H,2-4,7,10-15H2,1H3,(H,22,24).
What are the key properties of N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 393.55 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 120599611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).