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

C18H35N3O2 — CID 10125776

IUPAC(2S,3R)-3-[4-(dimethylamino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide
SMILESCCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C18H35N3O2/c1-6-7-15(17(19)22)16(12-13(2)3)18(23)21-10-8-14(9-11-21)20(4)5/h13-16H,6-12H2,1-5H3,(H2,19,22)/t15-,16+/m0/s1
InChIKeyWAOWESBSUMDGBO-JKSUJKDBSA-N
MW325.50 g/mol
LogP2.10
Rot. Bonds8

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

(2S,3R)-3-[4-(dimethylamino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide (PubChem CID 10125776) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is (2S,3R)-3-[4-(dimethylamino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide.

Molecular Properties

Compound Name(2S,3R)-3-[4-(dimethylamino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide
PubChem CID10125776
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name(2S,3R)-3-[4-(dimethylamino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide
SMILESCCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C18H35N3O2/c1-6-7-15(17(19)22)16(12-13(2)3)18(23)21-10-8-14(9-11-21)20(4)5/h13-16H,6-12H2,1-5H3,(H2,19,22)/t15-,16+/m0/s1
InChIKeyWAOWESBSUMDGBO-JKSUJKDBSA-N
XLogP2.10
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[4-(dimethylamino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide?
The IUPAC name of (2S,3R)-3-[4-(dimethylamino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide (CID 10125776) is (2S,3R)-3-[4-(dimethylamino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide.
What is the SMILES notation for (2S,3R)-3-[4-(dimethylamino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide?
The canonical SMILES for (2S,3R)-3-[4-(dimethylamino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide is CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1CCC(N(C)C)CC1.
What is the InChIKey of (2S,3R)-3-[4-(dimethylamino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide?
The InChIKey is WAOWESBSUMDGBO-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-6-7-15(17(19)22)16(12-13(2)3)18(23)21-10-8-14(9-11-21)20(4)5/h13-16H,6-12H2,1-5H3,(H2,19,22)/t15-,16+/m0/s1.
What are the key properties of (2S,3R)-3-[4-(dimethylamino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide?
(2S,3R)-3-[4-(dimethylamino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide has a molecular weight of 325.50 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[4-(dimethylamino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide is sourced from PubChem (CID 10125776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).