tert-butyl N-[2-[4-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate

C27H34N4O3 — CID 18173857

IUPACtert-butyl N-[2-[4-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc(NC2CCN(C(=O)c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C27H34N4O3/c1-27(2,3)34-26(33)28-15-12-19-8-10-20(11-9-19)30-21-13-16-31(17-14-21)25(32)23-18-29-24-7-5-4-6-22(23)24/h4-11,18,21,29-30H,12-17H2,1-3H3,(H,28,33)
InChIKeyJNBKALZYYJOQMN-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.95
Rot. Bonds6

About tert-butyl N-[2-[4-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate

tert-butyl N-[2-[4-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate (PubChem CID 18173857) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate
PubChem CID18173857
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Nametert-butyl N-[2-[4-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc(NC2CCN(C(=O)c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C27H34N4O3/c1-27(2,3)34-26(33)28-15-12-19-8-10-20(11-9-19)30-21-13-16-31(17-14-21)25(32)23-18-29-24-7-5-4-6-22(23)24/h4-11,18,21,29-30H,12-17H2,1-3H3,(H,28,33)
InChIKeyJNBKALZYYJOQMN-UHFFFAOYSA-N
XLogP4.95
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[4-[[1-(cyclopentylmethylcarbamoyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate
CID 18173596
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CID 52898572
tert-butyl N-[1-[N-[2-(1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111728903
1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 86188477
tert-butyl N-[2-[4-[[1-(3-cyclohexylpropylcarbamoyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate formate
CID 18173998
1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803979
1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
CID 53185539
N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-3-methylbut-2-enamide
CID 52901087
tert-butyl (4S)-4-[4-(2-hydroxyethyl)anilino]azepane-1-carboxylate
CID 99853020
tert-butyl N-[2-[4-[[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]ethyl]carbamate formate
CID 18173840
tert-butyl N-[3-oxo-3-[[1-(2-sulfanylbenzoyl)piperidin-4-yl]amino]propyl]carbamate
CID 108548266
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate (CID 18173857) is tert-butyl N-[2-[4-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1ccc(NC2CCN(C(=O)c3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of tert-butyl N-[2-[4-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate?
The InChIKey is JNBKALZYYJOQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-27(2,3)34-26(33)28-15-12-19-8-10-20(11-9-19)30-21-13-16-31(17-14-21)25(32)23-18-29-24-7-5-4-6-22(23)24/h4-11,18,21,29-30H,12-17H2,1-3H3,(H,28,33).
What are the key properties of tert-butyl N-[2-[4-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate?
tert-butyl N-[2-[4-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate has a molecular weight of 462.59 g/mol, XLogP of 4.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]amino]phenyl]ethyl]carbamate is sourced from PubChem (CID 18173857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).