tert-butyl 4-(aminomethyl)-4-[1H-indol-2-yl(methyl)carbamoyl]piperidine-1-carboxylate

C21H30N4O3 — CID 68664172

IUPACtert-butyl 4-(aminomethyl)-4-[1H-indol-2-yl(methyl)carbamoyl]piperidine-1-carboxylate
SMILESCN(C(=O)C1(CN)CCN(C(=O)OC(C)(C)C)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H30N4O3/c1-20(2,3)28-19(27)25-11-9-21(14-22,10-12-25)18(26)24(4)17-13-15-7-5-6-8-16(15)23-17/h5-8,13,23H,9-12,14,22H2,1-4H3
InChIKeyUJIVQPPVPGKODZ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.11
Rot. Bonds3

About tert-butyl 4-(aminomethyl)-4-[1H-indol-2-yl(methyl)carbamoyl]piperidine-1-carboxylate

tert-butyl 4-(aminomethyl)-4-[1H-indol-2-yl(methyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 68664172) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is tert-butyl 4-(aminomethyl)-4-[1H-indol-2-yl(methyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(aminomethyl)-4-[1H-indol-2-yl(methyl)carbamoyl]piperidine-1-carboxylate
PubChem CID68664172
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Nametert-butyl 4-(aminomethyl)-4-[1H-indol-2-yl(methyl)carbamoyl]piperidine-1-carboxylate
SMILESCN(C(=O)C1(CN)CCN(C(=O)OC(C)(C)C)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H30N4O3/c1-20(2,3)28-19(27)25-11-9-21(14-22,10-12-25)18(26)24(4)17-13-15-7-5-6-8-16(15)23-17/h5-8,13,23H,9-12,14,22H2,1-4H3
InChIKeyUJIVQPPVPGKODZ-UHFFFAOYSA-N
XLogP3.11
TPSA91.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 68663148
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CID 24747715
1-O-tert-butyl 4-O-methyl 4-benzylpiperidine-1,4-dicarboxylate
CID 20664732
tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate
CID 170993454
1-O-tert-butyl 4-O-methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-1,4-dicarboxylate
CID 68992342
4-(2-aminoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 165495257
tert-butyl 4-[(E)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoyl]piperazine-1-carboxylate
CID 110605664
tert-butyl 4-benzyl-4-[benzyl(trifluoromethyl)carbamoyl]piperidine-1-carboxylate
CID 91126915
tert-butyl 4-(dimethylcarbamoyl)-4-phenylpiperidine-1-carboxylate
CID 158985906
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
3-benzyl-3,9-diazaspiro[5.5]undecane;tert-butyl 9-benzyl-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 159956828
3-O-benzyl 9-O-tert-butyl 5-(aminomethyl)-3,9-diazaspiro[5.5]undecane-3,9-dicarboxylate
CID 71305297

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(aminomethyl)-4-[1H-indol-2-yl(methyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(aminomethyl)-4-[1H-indol-2-yl(methyl)carbamoyl]piperidine-1-carboxylate (CID 68664172) is tert-butyl 4-(aminomethyl)-4-[1H-indol-2-yl(methyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(aminomethyl)-4-[1H-indol-2-yl(methyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(aminomethyl)-4-[1H-indol-2-yl(methyl)carbamoyl]piperidine-1-carboxylate is CN(C(=O)C1(CN)CCN(C(=O)OC(C)(C)C)CC1)c1cc2ccccc2[nH]1.
What is the InChIKey of tert-butyl 4-(aminomethyl)-4-[1H-indol-2-yl(methyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is UJIVQPPVPGKODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-20(2,3)28-19(27)25-11-9-21(14-22,10-12-25)18(26)24(4)17-13-15-7-5-6-8-16(15)23-17/h5-8,13,23H,9-12,14,22H2,1-4H3.
What are the key properties of tert-butyl 4-(aminomethyl)-4-[1H-indol-2-yl(methyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-(aminomethyl)-4-[1H-indol-2-yl(methyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 386.50 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(aminomethyl)-4-[1H-indol-2-yl(methyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 68664172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).