1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-N',N'-dimethylpiperidine-3-carbohydrazide

C26H33N5O2 — CID 69019697

IUPAC1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-N',N'-dimethylpiperidine-3-carbohydrazide
SMILESCN(C)NC(=O)C1(Cc2ccccc2)CCCN(C(=O)[C@H](N)Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C26H33N5O2/c1-30(2)29-25(33)26(16-19-9-4-3-5-10-19)13-8-14-31(18-26)24(32)22(27)15-20-17-28-23-12-7-6-11-21(20)23/h3-7,9-12,17,22,28H,8,13-16,18,27H2,1-2H3,(H,29,33)/t22-,26?/m1/s1
InChIKeyHCLXKNSRDOFHDH-FPSALIRRSA-N
MW447.58 g/mol
LogP2.48
Rot. Bonds7

About 1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-N',N'-dimethylpiperidine-3-carbohydrazide

1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-N',N'-dimethylpiperidine-3-carbohydrazide (PubChem CID 69019697) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-N',N'-dimethylpiperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-N',N'-dimethylpiperidine-3-carbohydrazide
PubChem CID69019697
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-N',N'-dimethylpiperidine-3-carbohydrazide
SMILESCN(C)NC(=O)C1(Cc2ccccc2)CCCN(C(=O)[C@H](N)Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C26H33N5O2/c1-30(2)29-25(33)26(16-19-9-4-3-5-10-19)13-8-14-31(18-26)24(32)22(27)15-20-17-28-23-12-7-6-11-21(20)23/h3-7,9-12,17,22,28H,8,13-16,18,27H2,1-2H3,(H,29,33)/t22-,26?/m1/s1
InChIKeyHCLXKNSRDOFHDH-FPSALIRRSA-N
XLogP2.48
TPSA94.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-N',N'-dimethylpiperidine-3-carbohydrazide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzylazepane-3-carboxylate
CID 10814709
2-amino-N-[(1R,2R)-1-[(3R)-3-benzyl-3-(dimethylaminocarbamoyl)piperidin-1-yl]-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-methylpropanamide
CID 141296594
2-amino-N-[(2S)-1-[(3S)-3-benzyl-3-[dimethylamino(methyl)carbamoyl]piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 124603196
[1-[2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]-3-benzylpiperidine-3-carbonyl]-(dimethylamino)-methylazanium
CID 153098489
2-amino-N-[(2R)-1-[(3R)-3-benzyl-3-(2,2-dimethylpropanoyl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 126551693
(2S)-2-amino-1-(azocan-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 119955806
(2S)-2-amino-3-(1H-indol-3-yl)-1-piperidin-1-ylpropan-1-one
CID 770507
2-amino-N-[(2R)-1-[(3R)-3-benzyl-3-(2,2-dimethylbutanoyl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 126565929
(2S)-2-amino-1-(3,3-diethylpyrrolidin-1-yl)-3-(1H-indol-3-yl)propan-1-one;hydrochloride
CID 119957351
tert-butyl N-[1-[[(2R)-1-[(3R)-3-benzyl-3-[dimethylamino(methyl)carbamoyl]piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 59070251
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 119956056

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-N',N'-dimethylpiperidine-3-carbohydrazide?
The IUPAC name of 1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-N',N'-dimethylpiperidine-3-carbohydrazide (CID 69019697) is 1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-N',N'-dimethylpiperidine-3-carbohydrazide.
What is the SMILES notation for 1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-N',N'-dimethylpiperidine-3-carbohydrazide?
The canonical SMILES for 1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-N',N'-dimethylpiperidine-3-carbohydrazide is CN(C)NC(=O)C1(Cc2ccccc2)CCCN(C(=O)[C@H](N)Cc2c[nH]c3ccccc23)C1.
What is the InChIKey of 1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-N',N'-dimethylpiperidine-3-carbohydrazide?
The InChIKey is HCLXKNSRDOFHDH-FPSALIRRSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-30(2)29-25(33)26(16-19-9-4-3-5-10-19)13-8-14-31(18-26)24(32)22(27)15-20-17-28-23-12-7-6-11-21(20)23/h3-7,9-12,17,22,28H,8,13-16,18,27H2,1-2H3,(H,29,33)/t22-,26?/m1/s1.
What are the key properties of 1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-N',N'-dimethylpiperidine-3-carbohydrazide?
1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-N',N'-dimethylpiperidine-3-carbohydrazide has a molecular weight of 447.58 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-3-benzyl-N',N'-dimethylpiperidine-3-carbohydrazide is sourced from PubChem (CID 69019697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).