N-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-N,2,7-trimethylquinoline-3-carboxamide

C20H27N3O — CID 98772445

IUPACN-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-N,2,7-trimethylquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)N(C)[C@H]3CCN(C)C[C@H]3C)c(C)nc2c1
InChIInChI=1S/C20H27N3O/c1-13-6-7-16-11-17(15(3)21-18(16)10-13)20(24)23(5)19-8-9-22(4)12-14(19)2/h6-7,10-11,14,19H,8-9,12H2,1-5H3/t14-,19+/m1/s1
InChIKeyQAHMVOHDTBOOAK-KUHUBIRLSA-N
MW325.46 g/mol
LogP3.26
Rot. Bonds2

About N-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-N,2,7-trimethylquinoline-3-carboxamide

N-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-N,2,7-trimethylquinoline-3-carboxamide (PubChem CID 98772445) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-N,2,7-trimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-N,2,7-trimethylquinoline-3-carboxamide
PubChem CID98772445
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-N,2,7-trimethylquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)N(C)[C@H]3CCN(C)C[C@H]3C)c(C)nc2c1
InChIInChI=1S/C20H27N3O/c1-13-6-7-16-11-17(15(3)21-18(16)10-13)20(24)23(5)19-8-9-22(4)12-14(19)2/h6-7,10-11,14,19H,8-9,12H2,1-5H3/t14-,19+/m1/s1
InChIKeyQAHMVOHDTBOOAK-KUHUBIRLSA-N
XLogP3.26
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-N,2,7-trimethylquinoline-3-carboxamide?
The IUPAC name of N-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-N,2,7-trimethylquinoline-3-carboxamide (CID 98772445) is N-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-N,2,7-trimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-N,2,7-trimethylquinoline-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-N,2,7-trimethylquinoline-3-carboxamide is Cc1ccc2cc(C(=O)N(C)[C@H]3CCN(C)C[C@H]3C)c(C)nc2c1.
What is the InChIKey of N-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-N,2,7-trimethylquinoline-3-carboxamide?
The InChIKey is QAHMVOHDTBOOAK-KUHUBIRLSA-N. The full InChI is InChI=1S/C20H27N3O/c1-13-6-7-16-11-17(15(3)21-18(16)10-13)20(24)23(5)19-8-9-22(4)12-14(19)2/h6-7,10-11,14,19H,8-9,12H2,1-5H3/t14-,19+/m1/s1.
What are the key properties of N-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-N,2,7-trimethylquinoline-3-carboxamide?
N-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-N,2,7-trimethylquinoline-3-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-N,2,7-trimethylquinoline-3-carboxamide is sourced from PubChem (CID 98772445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).