(4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone

C18H26N2O — CID 103495813

IUPAC(4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2CCc3ccccc3N2)CC1
InChIInChI=1S/C18H26N2O/c1-13(2)14-9-11-20(12-10-14)18(21)17-8-7-15-5-3-4-6-16(15)19-17/h3-6,13-14,17,19H,7-12H2,1-2H3
InChIKeyWXAFHWNHNRTIAJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.31
Rot. Bonds2

About (4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone

(4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone (PubChem CID 103495813) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
PubChem CID103495813
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2CCc3ccccc3N2)CC1
InChIInChI=1S/C18H26N2O/c1-13(2)14-9-11-20(12-10-14)18(21)17-8-7-15-5-3-4-6-16(15)19-17/h3-6,13-14,17,19H,7-12H2,1-2H3
InChIKeyWXAFHWNHNRTIAJ-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
CID 43373219
(3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
CID 103533859
(3-hydroxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
CID 61435167
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
(4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone
CID 62084353
2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 76895982
[(2R)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591695
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 24705995
argon;1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 158312958
N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 63926506
2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81103602

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone?
The IUPAC name of (4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone (CID 103495813) is (4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone.
What is the SMILES notation for (4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone?
The canonical SMILES for (4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone is CC(C)C1CCN(C(=O)C2CCc3ccccc3N2)CC1.
What is the InChIKey of (4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone?
The InChIKey is WXAFHWNHNRTIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(2)14-9-11-20(12-10-14)18(21)17-8-7-15-5-3-4-6-16(15)19-17/h3-6,13-14,17,19H,7-12H2,1-2H3.
What are the key properties of (4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone?
(4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone is sourced from PubChem (CID 103495813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).