(2S,3R)-3-[4-(3-methoxy-4-methylanilino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide

C24H39N3O3 — CID 10173266

IUPAC(2S,3R)-3-[4-(3-methoxy-4-methylanilino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide
SMILESCCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1CCC(Nc2ccc(C)c(OC)c2)CC1
InChIInChI=1S/C24H39N3O3/c1-6-7-20(23(25)28)21(14-16(2)3)24(29)27-12-10-18(11-13-27)26-19-9-8-17(4)22(15-19)30-5/h8-9,15-16,18,20-21,26H,6-7,10-14H2,1-5H3,(H2,25,28)/t20-,21+/m0/s1
InChIKeyMFHYASNZAXETJC-LEWJYISDSA-N
MW417.59 g/mol
LogP3.97
Rot. Bonds10

About (2S,3R)-3-[4-(3-methoxy-4-methylanilino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide

(2S,3R)-3-[4-(3-methoxy-4-methylanilino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide (PubChem CID 10173266) has the molecular formula C24H39N3O3 and a molecular weight of 417.59 g/mol. Its IUPAC name is (2S,3R)-3-[4-(3-methoxy-4-methylanilino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide.

Molecular Properties

Compound Name(2S,3R)-3-[4-(3-methoxy-4-methylanilino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide
PubChem CID10173266
Molecular FormulaC24H39N3O3
Molecular Weight417.59 g/mol
Exact Mass417.30
IUPAC Name(2S,3R)-3-[4-(3-methoxy-4-methylanilino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide
SMILESCCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1CCC(Nc2ccc(C)c(OC)c2)CC1
InChIInChI=1S/C24H39N3O3/c1-6-7-20(23(25)28)21(14-16(2)3)24(29)27-12-10-18(11-13-27)26-19-9-8-17(4)22(15-19)30-5/h8-9,15-16,18,20-21,26H,6-7,10-14H2,1-5H3,(H2,25,28)/t20-,21+/m0/s1
InChIKeyMFHYASNZAXETJC-LEWJYISDSA-N
XLogP3.97
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[4-(3-methoxy-4-methylanilino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide?
The IUPAC name of (2S,3R)-3-[4-(3-methoxy-4-methylanilino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide (CID 10173266) is (2S,3R)-3-[4-(3-methoxy-4-methylanilino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide.
What is the SMILES notation for (2S,3R)-3-[4-(3-methoxy-4-methylanilino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide?
The canonical SMILES for (2S,3R)-3-[4-(3-methoxy-4-methylanilino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide is CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1CCC(Nc2ccc(C)c(OC)c2)CC1.
What is the InChIKey of (2S,3R)-3-[4-(3-methoxy-4-methylanilino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide?
The InChIKey is MFHYASNZAXETJC-LEWJYISDSA-N. The full InChI is InChI=1S/C24H39N3O3/c1-6-7-20(23(25)28)21(14-16(2)3)24(29)27-12-10-18(11-13-27)26-19-9-8-17(4)22(15-19)30-5/h8-9,15-16,18,20-21,26H,6-7,10-14H2,1-5H3,(H2,25,28)/t20-,21+/m0/s1.
What are the key properties of (2S,3R)-3-[4-(3-methoxy-4-methylanilino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide?
(2S,3R)-3-[4-(3-methoxy-4-methylanilino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide has a molecular weight of 417.59 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[4-(3-methoxy-4-methylanilino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide is sourced from PubChem (CID 10173266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).