(2R)-2-amino-3-(1H-indol-3-yl)-N-piperidin-1-ylpropanamide

C16H22N4O — CID 104910969

IUPAC(2R)-2-amino-3-(1H-indol-3-yl)-N-piperidin-1-ylpropanamide
SMILESN[C@H](Cc1c[nH]c2ccccc12)C(=O)NN1CCCCC1
InChIInChI=1S/C16H22N4O/c17-14(16(21)19-20-8-4-1-5-9-20)10-12-11-18-15-7-3-2-6-13(12)15/h2-3,6-7,11,14,18H,1,4-5,8-10,17H2,(H,19,21)/t14-/m1/s1
InChIKeyBUQKOGDWBHLNSG-CQSZACIVSA-N
MW286.38 g/mol
LogP1.55
Rot. Bonds4

About (2R)-2-amino-3-(1H-indol-3-yl)-N-piperidin-1-ylpropanamide

(2R)-2-amino-3-(1H-indol-3-yl)-N-piperidin-1-ylpropanamide (PubChem CID 104910969) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (2R)-2-amino-3-(1H-indol-3-yl)-N-piperidin-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(1H-indol-3-yl)-N-piperidin-1-ylpropanamide
PubChem CID104910969
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(2R)-2-amino-3-(1H-indol-3-yl)-N-piperidin-1-ylpropanamide
SMILESN[C@H](Cc1c[nH]c2ccccc12)C(=O)NN1CCCCC1
InChIInChI=1S/C16H22N4O/c17-14(16(21)19-20-8-4-1-5-9-20)10-12-11-18-15-7-3-2-6-13(12)15/h2-3,6-7,11,14,18H,1,4-5,8-10,17H2,(H,19,21)/t14-/m1/s1
InChIKeyBUQKOGDWBHLNSG-CQSZACIVSA-N
XLogP1.55
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(azocan-1-yl)-3-(1H-indol-3-yl)propan-1-one
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CID 770507
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 119956280
2-amino-N-carbamoyl-3-(1H-indol-3-yl)propanamide
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(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
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CID 22691619
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide
CID 61148502
2-amino-N-(1H-imidazol-2-yl)-3-(1H-indol-3-yl)propanamide
CID 76999319
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)-N-piperidin-1-ylpropanamide?
The IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)-N-piperidin-1-ylpropanamide (CID 104910969) is (2R)-2-amino-3-(1H-indol-3-yl)-N-piperidin-1-ylpropanamide.
What is the SMILES notation for (2R)-2-amino-3-(1H-indol-3-yl)-N-piperidin-1-ylpropanamide?
The canonical SMILES for (2R)-2-amino-3-(1H-indol-3-yl)-N-piperidin-1-ylpropanamide is N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN1CCCCC1.
What is the InChIKey of (2R)-2-amino-3-(1H-indol-3-yl)-N-piperidin-1-ylpropanamide?
The InChIKey is BUQKOGDWBHLNSG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4O/c17-14(16(21)19-20-8-4-1-5-9-20)10-12-11-18-15-7-3-2-6-13(12)15/h2-3,6-7,11,14,18H,1,4-5,8-10,17H2,(H,19,21)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-3-(1H-indol-3-yl)-N-piperidin-1-ylpropanamide?
(2R)-2-amino-3-(1H-indol-3-yl)-N-piperidin-1-ylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1H-indol-3-yl)-N-piperidin-1-ylpropanamide is sourced from PubChem (CID 104910969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).