benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate

C23H25N3O3 — CID 58933443

IUPACbenzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate
SMILESO=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C23H25N3O3/c27-22(20-6-7-21-19(14-20)8-11-24-21)25-15-17-9-12-26(13-10-17)23(28)29-16-18-4-2-1-3-5-18/h1-8,11,14,17,24H,9-10,12-13,15-16H2,(H,25,27)
InChIKeyPWPKSVPPXSRZQA-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.95
Rot. Bonds5

About benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate

benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate (PubChem CID 58933443) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate
PubChem CID58933443
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Namebenzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate
SMILESO=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C23H25N3O3/c27-22(20-6-7-21-19(14-20)8-11-24-21)25-15-17-9-12-26(13-10-17)23(28)29-16-18-4-2-1-3-5-18/h1-8,11,14,17,24H,9-10,12-13,15-16H2,(H,25,27)
InChIKeyPWPKSVPPXSRZQA-UHFFFAOYSA-N
XLogP3.95
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-[(pyridazine-4-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933452
benzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 59074849
N-(piperidin-4-ylmethyl)-1H-indole-5-carboxamide
CID 63747736
benzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10132923
benzyl 4-[[(5-hydroxypyrimidine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933592
benzyl 4-[[(6-chloropyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933687
N-(cyclobutylmethyl)-1H-indole-6-carboxamide
CID 47190926
N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 126779705
N-[[1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45226176
N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 42514413
(4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate
CID 58933564
N-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 95207398

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate (CID 58933443) is benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate is O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc2[nH]ccc2c1.
What is the InChIKey of benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate?
The InChIKey is PWPKSVPPXSRZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-22(20-6-7-21-19(14-20)8-11-24-21)25-15-17-9-12-26(13-10-17)23(28)29-16-18-4-2-1-3-5-18/h1-8,11,14,17,24H,9-10,12-13,15-16H2,(H,25,27).
What are the key properties of benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate?
benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 58933443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).