1-methylsulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide

C19H30N2O4S — CID 132657660

IUPAC1-methylsulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
SMILESCC(C)Oc1cccc(CCCNC(=O)C2CCCN(S(C)(=O)=O)C2)c1
InChIInChI=1S/C19H30N2O4S/c1-15(2)25-18-10-4-7-16(13-18)8-5-11-20-19(22)17-9-6-12-21(14-17)26(3,23)24/h4,7,10,13,15,17H,5-6,8-9,11-12,14H2,1-3H3,(H,20,22)
InChIKeyHPCVVKVLHZMVNO-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.19
Rot. Bonds8

About 1-methylsulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide

1-methylsulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide (PubChem CID 132657660) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
PubChem CID132657660
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name1-methylsulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
SMILESCC(C)Oc1cccc(CCCNC(=O)C2CCCN(S(C)(=O)=O)C2)c1
InChIInChI=1S/C19H30N2O4S/c1-15(2)25-18-10-4-7-16(13-18)8-5-11-20-19(22)17-9-6-12-21(14-17)26(3,23)24/h4,7,10,13,15,17H,5-6,8-9,11-12,14H2,1-3H3,(H,20,22)
InChIKeyHPCVVKVLHZMVNO-UHFFFAOYSA-N
XLogP2.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(4-chlorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 100675660
(3R)-1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 100670729
1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132660565
(3S)-1-(3-phenylpropylsulfonyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 92646552
N-[3-(3,4-dimethoxyphenyl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 48586860
(3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95119279
1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
CID 100652484
(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(3-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 100670690
(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 100670759
1-(4-methoxyphenyl)sulfonyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 53282820
1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132650772
1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43908136

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide (CID 132657660) is 1-methylsulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide is CC(C)Oc1cccc(CCCNC(=O)C2CCCN(S(C)(=O)=O)C2)c1.
What is the InChIKey of 1-methylsulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide?
The InChIKey is HPCVVKVLHZMVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-15(2)25-18-10-4-7-16(13-18)8-5-11-20-19(22)17-9-6-12-21(14-17)26(3,23)24/h4,7,10,13,15,17H,5-6,8-9,11-12,14H2,1-3H3,(H,20,22).
What are the key properties of 1-methylsulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide?
1-methylsulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 132657660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).