(3S,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide

C17H26N2O2 — CID 97422444

IUPAC(3S,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide
SMILESCO[C@@H]1CCN(C(=O)N(C)C)C[C@@H]1Cc1cccc(C)c1
InChIInChI=1S/C17H26N2O2/c1-13-6-5-7-14(10-13)11-15-12-19(17(20)18(2)3)9-8-16(15)21-4/h5-7,10,15-16H,8-9,11-12H2,1-4H3/t15-,16+/m0/s1
InChIKeyZGCVORAIOMIBPJ-JKSUJKDBSA-N
MW290.41 g/mol
LogP2.56
Rot. Bonds3

About (3S,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide

(3S,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide (PubChem CID 97422444) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (3S,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide
PubChem CID97422444
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(3S,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide
SMILESCO[C@@H]1CCN(C(=O)N(C)C)C[C@@H]1Cc1cccc(C)c1
InChIInChI=1S/C17H26N2O2/c1-13-6-5-7-14(10-13)11-15-12-19(17(20)18(2)3)9-8-16(15)21-4/h5-7,10,15-16H,8-9,11-12H2,1-4H3/t15-,16+/m0/s1
InChIKeyZGCVORAIOMIBPJ-JKSUJKDBSA-N
XLogP2.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 125219843
[(3R,4S)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 125230007
[(3R,4S)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124795000
[(3R,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124794762
[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 97422435
[(3S,4S)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 97422768
(3S,4S)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-sulfonamide
CID 97477037
[(3S,4S)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 97422757
[(3R,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 124822421
2-[(3S,4S)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]pyrimidine;2,2,2-trifluoroacetic acid
CID 155854798
3-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 155835426
2-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 97422425

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3S,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide (CID 97422444) is (3S,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3S,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide is CO[C@@H]1CCN(C(=O)N(C)C)C[C@@H]1Cc1cccc(C)c1.
What is the InChIKey of (3S,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is ZGCVORAIOMIBPJ-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-6-5-7-14(10-13)11-15-12-19(17(20)18(2)3)9-8-16(15)21-4/h5-7,10,15-16H,8-9,11-12H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of (3S,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide?
(3S,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 97422444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).