(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone

C21H22N2O — CID 112828614

IUPAC(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H22N2O/c24-21(19-7-4-8-20-18(19)9-12-22-20)23-13-10-17(11-14-23)15-16-5-2-1-3-6-16/h1-9,12,17,22H,10-11,13-15H2
InChIKeyNFECZRCYZIWBIH-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.26
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone

(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone (PubChem CID 112828614) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
PubChem CID112828614
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H22N2O/c24-21(19-7-4-8-20-18(19)9-12-22-20)23-13-10-17(11-14-23)15-16-5-2-1-3-6-16/h1-9,12,17,22H,10-11,13-15H2
InChIKeyNFECZRCYZIWBIH-UHFFFAOYSA-N
XLogP4.26
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone
CID 80550607
1H-indol-4-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
CID 91918381
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
(4-benzylpiperidin-1-yl)-(4-chloro-1H-indol-5-yl)methanone;(4-benzylpiperidin-1-yl)-(6-chloro-1H-indol-5-yl)methanone;methane
CID 159570082
(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone
CID 65245171
(3R,4S)-4-hydroxy-1-(1H-indole-4-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylic acid
CID 156584797
(2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid
CID 154788336
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone
CID 28723214
2-[5-(4-benzylpiperidine-1-carbonyl)-6-methyl-1H-indol-3-yl]-2-oxoacetic acid
CID 20626155
(2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086545
(4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone
CID 113206938

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone (CID 112828614) is (4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone is O=C(c1cccc2[nH]ccc12)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone?
The InChIKey is NFECZRCYZIWBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c24-21(19-7-4-8-20-18(19)9-12-22-20)23-13-10-17(11-14-23)15-16-5-2-1-3-6-16/h1-9,12,17,22H,10-11,13-15H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone?
(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone has a molecular weight of 318.42 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone is sourced from PubChem (CID 112828614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).