2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide

C16H22N4O — CID 62330627

IUPAC2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H22N4O/c17-16(21)11-20-7-5-13(6-8-20)18-9-12-10-19-15-4-2-1-3-14(12)15/h1-4,10,13,18-19H,5-9,11H2,(H2,17,21)
InChIKeyKATPONKPAMGPOC-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.21
Rot. Bonds5

About 2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide

2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide (PubChem CID 62330627) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide
PubChem CID62330627
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H22N4O/c17-16(21)11-20-7-5-13(6-8-20)18-9-12-10-19-15-4-2-1-3-14(12)15/h1-4,10,13,18-19H,5-9,11H2,(H2,17,21)
InChIKeyKATPONKPAMGPOC-UHFFFAOYSA-N
XLogP1.21
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 103948078
2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 115951528
2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 103792489
(2S)-2-amino-N-(1-ethylpiperidin-4-yl)-3-(1H-indol-3-yl)propanamide;dihydrochloride
CID 119957877
4-[[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]methyl]benzoic acid
CID 65347580
2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 62132229
2-[4-[(3-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 43746822
N-methyl-2-[4-(naphthalen-1-ylmethylamino)piperidin-1-yl]acetamide;hydrochloride
CID 51079563
N-cyclopentyloxy-2-(1H-indol-3-yl)acetamide
CID 83202752
2-(1H-indol-3-yl)-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)acetamide
CID 91910721
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(1H-indol-3-yl)acetamide
CID 110819918
4-(1H-indol-3-yl)butanamide
CID 588715

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide (CID 62330627) is 2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide is NC(=O)CN1CCC(NCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide?
The InChIKey is KATPONKPAMGPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-16(21)11-20-7-5-13(6-8-20)18-9-12-10-19-15-4-2-1-3-14(12)15/h1-4,10,13,18-19H,5-9,11H2,(H2,17,21).
What are the key properties of 2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide?
2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 62330627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).