benzyl 4-(1H-indole-3-carbonyl)piperidine-1-carboxylate

C22H22N2O3 — CID 110643516

IUPACbenzyl 4-(1H-indole-3-carbonyl)piperidine-1-carboxylate
SMILESO=C(c1c[nH]c2ccccc12)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C22H22N2O3/c25-21(19-14-23-20-9-5-4-8-18(19)20)17-10-12-24(13-11-17)22(26)27-15-16-6-2-1-3-7-16/h1-9,14,17,23H,10-13,15H2
InChIKeyPPXBHKGIVGEIRO-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.40
Rot. Bonds4

About benzyl 4-(1H-indole-3-carbonyl)piperidine-1-carboxylate

benzyl 4-(1H-indole-3-carbonyl)piperidine-1-carboxylate (PubChem CID 110643516) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is benzyl 4-(1H-indole-3-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(1H-indole-3-carbonyl)piperidine-1-carboxylate
PubChem CID110643516
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Namebenzyl 4-(1H-indole-3-carbonyl)piperidine-1-carboxylate
SMILESO=C(c1c[nH]c2ccccc12)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C22H22N2O3/c25-21(19-14-23-20-9-5-4-8-18(19)20)17-10-12-24(13-11-17)22(26)27-15-16-6-2-1-3-7-16/h1-9,14,17,23H,10-13,15H2
InChIKeyPPXBHKGIVGEIRO-UHFFFAOYSA-N
XLogP4.40
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
CID 54543425
(1-phenylmethoxycarbonylpyrrolidin-2-yl) 1H-indole-3-carboxylate
CID 22386155
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
benzyl 4-(1H-indol-3-ylmethyl)piperazine-1-carboxylate
CID 66853352
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
2-(4-chlorophenoxy)-1-[4-(1H-indole-3-carbonyl)piperidin-1-yl]ethanone
CID 110643500
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
(3-aminocyclobutyl)-(1H-indol-3-yl)methanone
CID 116917713
benzyl 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 69063371
4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 139534540
benzyl 4-(5-bromopyridine-2-carbonyl)piperidine-1-carboxylate
CID 23627077

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(1H-indole-3-carbonyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(1H-indole-3-carbonyl)piperidine-1-carboxylate (CID 110643516) is benzyl 4-(1H-indole-3-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(1H-indole-3-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(1H-indole-3-carbonyl)piperidine-1-carboxylate is O=C(c1c[nH]c2ccccc12)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(1H-indole-3-carbonyl)piperidine-1-carboxylate?
The InChIKey is PPXBHKGIVGEIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-21(19-14-23-20-9-5-4-8-18(19)20)17-10-12-24(13-11-17)22(26)27-15-16-6-2-1-3-7-16/h1-9,14,17,23H,10-13,15H2.
What are the key properties of benzyl 4-(1H-indole-3-carbonyl)piperidine-1-carboxylate?
benzyl 4-(1H-indole-3-carbonyl)piperidine-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(1H-indole-3-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 110643516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).