2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide

C25H36N4O2 — CID 118263848

IUPAC2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide
SMILESCOC1CN(c2nc3ccc(C)cc3cc2C(=O)N(C)C)CCC1NC1CCCCC1
InChIInChI=1S/C25H36N4O2/c1-17-10-11-21-18(14-17)15-20(25(30)28(2)3)24(27-21)29-13-12-22(23(16-29)31-4)26-19-8-6-5-7-9-19/h10-11,14-15,19,22-23,26H,5-9,12-13,16H2,1-4H3
InChIKeySWHDSKKAWPZODL-UHFFFAOYSA-N
MW424.59 g/mol
LogP3.76
Rot. Bonds5

About 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide

2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide (PubChem CID 118263848) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide.

Molecular Properties

Compound Name2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide
PubChem CID118263848
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC Name2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide
SMILESCOC1CN(c2nc3ccc(C)cc3cc2C(=O)N(C)C)CCC1NC1CCCCC1
InChIInChI=1S/C25H36N4O2/c1-17-10-11-21-18(14-17)15-20(25(30)28(2)3)24(27-21)29-13-12-22(23(16-29)31-4)26-19-8-6-5-7-9-19/h10-11,14-15,19,22-23,26H,5-9,12-13,16H2,1-4H3
InChIKeySWHDSKKAWPZODL-UHFFFAOYSA-N
XLogP3.76
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinolin-3-yl]ethanone
CID 118264059
2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide
CID 140681749
1-aminoethyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinoline-3-carboximidate
CID 123318961
N-(1-aminoethyl)-2-[3-methoxy-4-(oxan-4-ylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide
CID 123907760
propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate
CID 118263864
N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine
CID 118263877
2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide
CID 140681712
2-[(3R,4S)-4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]-N-(cyclopropanecarboximidoyl)-6-methylquinoline-3-carboxamide
CID 163668702
methyl 5-bromo-2-[(3S,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate
CID 118264148
(3S,4R)-N-cyclohexyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]quinolin-2-yl]-3-methoxypiperidin-4-amine
CID 118263913
N-(1-aminoethyl)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide
CID 123966369
N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide
CID 118263989

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide?
The IUPAC name of 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide (CID 118263848) is 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide.
What is the SMILES notation for 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide?
The canonical SMILES for 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide is COC1CN(c2nc3ccc(C)cc3cc2C(=O)N(C)C)CCC1NC1CCCCC1.
What is the InChIKey of 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide?
The InChIKey is SWHDSKKAWPZODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-17-10-11-21-18(14-17)15-20(25(30)28(2)3)24(27-21)29-13-12-22(23(16-29)31-4)26-19-8-6-5-7-9-19/h10-11,14-15,19,22-23,26H,5-9,12-13,16H2,1-4H3.
What are the key properties of 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide?
2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide is sourced from PubChem (CID 118263848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).