5-(1H-indol-5-ylmethylamino)piperidin-2-one

C14H17N3O — CID 102910919

IUPAC5-(1H-indol-5-ylmethylamino)piperidin-2-one
SMILESO=C1CCC(NCc2ccc3[nH]ccc3c2)CN1
InChIInChI=1S/C14H17N3O/c18-14-4-2-12(9-17-14)16-8-10-1-3-13-11(7-10)5-6-15-13/h1,3,5-7,12,15-16H,2,4,8-9H2,(H,17,18)
InChIKeyBLXJSRCXWNBPGP-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.54
Rot. Bonds3

About 5-(1H-indol-5-ylmethylamino)piperidin-2-one

5-(1H-indol-5-ylmethylamino)piperidin-2-one (PubChem CID 102910919) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(1H-indol-5-ylmethylamino)piperidin-2-one.

Molecular Properties

Compound Name5-(1H-indol-5-ylmethylamino)piperidin-2-one
PubChem CID102910919
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-(1H-indol-5-ylmethylamino)piperidin-2-one
SMILESO=C1CCC(NCc2ccc3[nH]ccc3c2)CN1
InChIInChI=1S/C14H17N3O/c18-14-4-2-12(9-17-14)16-8-10-1-3-13-11(7-10)5-6-15-13/h1,3,5-7,12,15-16H,2,4,8-9H2,(H,17,18)
InChIKeyBLXJSRCXWNBPGP-UHFFFAOYSA-N
XLogP1.54
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one
CID 106182577
N-(1H-indol-5-ylmethyl)cyclooctanamine
CID 102909214
N-(1H-indol-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 17221788
5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one
CID 63661374
N-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine
CID 102911276
5-(pyridin-4-ylmethylamino)piperidin-2-one
CID 63378640
3-(1H-indol-5-ylmethylamino)cyclohexan-1-ol
CID 102909895
(5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one
CID 97351119
5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one
CID 63378779
N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 102909363
2-[4-(1H-indol-5-ylmethylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935752
methyl 4-[[(6-oxopiperidin-3-yl)amino]methyl]benzoate
CID 63663688

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-5-ylmethylamino)piperidin-2-one?
The IUPAC name of 5-(1H-indol-5-ylmethylamino)piperidin-2-one (CID 102910919) is 5-(1H-indol-5-ylmethylamino)piperidin-2-one.
What is the SMILES notation for 5-(1H-indol-5-ylmethylamino)piperidin-2-one?
The canonical SMILES for 5-(1H-indol-5-ylmethylamino)piperidin-2-one is O=C1CCC(NCc2ccc3[nH]ccc3c2)CN1.
What is the InChIKey of 5-(1H-indol-5-ylmethylamino)piperidin-2-one?
The InChIKey is BLXJSRCXWNBPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14-4-2-12(9-17-14)16-8-10-1-3-13-11(7-10)5-6-15-13/h1,3,5-7,12,15-16H,2,4,8-9H2,(H,17,18).
What are the key properties of 5-(1H-indol-5-ylmethylamino)piperidin-2-one?
5-(1H-indol-5-ylmethylamino)piperidin-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-5-ylmethylamino)piperidin-2-one is sourced from PubChem (CID 102910919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).