1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]piperidin-2-one

C21H23N3O — CID 119110221

IUPAC1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]piperidin-2-one
SMILESO=C1CCCCN1c1ccc(CNCc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C21H23N3O/c25-21-6-1-2-13-24(21)18-9-7-16(8-10-18)14-22-15-17-4-3-5-20-19(17)11-12-23-20/h3-5,7-12,22-23H,1-2,6,13-15H2
InChIKeyCVZKWYMOPAULNF-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.97
Rot. Bonds5

About 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]piperidin-2-one

1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]piperidin-2-one (PubChem CID 119110221) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]piperidin-2-one
PubChem CID119110221
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]piperidin-2-one
SMILESO=C1CCCCN1c1ccc(CNCc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C21H23N3O/c25-21-6-1-2-13-24(21)18-9-7-16(8-10-18)14-22-15-17-4-3-5-20-19(17)11-12-23-20/h3-5,7-12,22-23H,1-2,6,13-15H2
InChIKeyCVZKWYMOPAULNF-UHFFFAOYSA-N
XLogP3.97
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 26690069
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
N-(1H-indol-4-ylmethyl)-1-pyridin-4-ylmethanamine
CID 17221052
1-[2-(azepan-1-yl)-4-pyridinyl]-N-(1H-indol-4-ylmethyl)methanamine
CID 119125461
1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 119110268
1-[4-[(prop-2-ynylamino)methyl]phenyl]pyrrolidin-2-one
CID 60697157
N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62999922
2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119749209
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea
CID 119110190
1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one
CID 28658925
1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 28878132

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]piperidin-2-one?
The IUPAC name of 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]piperidin-2-one (CID 119110221) is 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]piperidin-2-one.
What is the SMILES notation for 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]piperidin-2-one?
The canonical SMILES for 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]piperidin-2-one is O=C1CCCCN1c1ccc(CNCc2cccc3[nH]ccc23)cc1.
What is the InChIKey of 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]piperidin-2-one?
The InChIKey is CVZKWYMOPAULNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-21-6-1-2-13-24(21)18-9-7-16(8-10-18)14-22-15-17-4-3-5-20-19(17)11-12-23-20/h3-5,7-12,22-23H,1-2,6,13-15H2.
What are the key properties of 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]piperidin-2-one?
1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]piperidin-2-one has a molecular weight of 333.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]piperidin-2-one is sourced from PubChem (CID 119110221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).