tert-butyl N-[2-[4-(2-chloroanilino)piperidin-1-yl]-2-oxoethyl]carbamate

C18H26ClN3O3 — CID 66591390

IUPACtert-butyl N-[2-[4-(2-chloroanilino)piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCC(Nc2ccccc2Cl)CC1
InChIInChI=1S/C18H26ClN3O3/c1-18(2,3)25-17(24)20-12-16(23)22-10-8-13(9-11-22)21-15-7-5-4-6-14(15)19/h4-7,13,21H,8-12H2,1-3H3,(H,20,24)
InChIKeyDQJKQFTYUJHQPY-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.27
Rot. Bonds4

About tert-butyl N-[2-[4-(2-chloroanilino)piperidin-1-yl]-2-oxoethyl]carbamate

tert-butyl N-[2-[4-(2-chloroanilino)piperidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 66591390) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(2-chloroanilino)piperidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(2-chloroanilino)piperidin-1-yl]-2-oxoethyl]carbamate
PubChem CID66591390
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Nametert-butyl N-[2-[4-(2-chloroanilino)piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCC(Nc2ccccc2Cl)CC1
InChIInChI=1S/C18H26ClN3O3/c1-18(2,3)25-17(24)20-12-16(23)22-10-8-13(9-11-22)21-15-7-5-4-6-14(15)19/h4-7,13,21H,8-12H2,1-3H3,(H,20,24)
InChIKeyDQJKQFTYUJHQPY-UHFFFAOYSA-N
XLogP3.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[2-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate
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tert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate
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tert-butyl N-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]carbamate
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tert-butyl N-[2-[4-[[2-(4-bromophenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate
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tert-butyl N-[[2-(2-chloroanilino)cyclopentyl]methyl]carbamate
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tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate
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tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane
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tert-butyl N-[2-[4-[2-(2-methylphenyl)acetyl]-1,4-diazepan-1-yl]-2-oxoethyl]carbamate
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tert-butyl N-[2-[4-[(cyclopropanecarbonylamino)methyl]piperidin-1-yl]-2-oxoethyl]carbamate
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tert-butyl N-[2-[4-[[(4-tert-butylbenzoyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(2-chloroanilino)piperidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(2-chloroanilino)piperidin-1-yl]-2-oxoethyl]carbamate (CID 66591390) is tert-butyl N-[2-[4-(2-chloroanilino)piperidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(2-chloroanilino)piperidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(2-chloroanilino)piperidin-1-yl]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N1CCC(Nc2ccccc2Cl)CC1.
What is the InChIKey of tert-butyl N-[2-[4-(2-chloroanilino)piperidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is DQJKQFTYUJHQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-18(2,3)25-17(24)20-12-16(23)22-10-8-13(9-11-22)21-15-7-5-4-6-14(15)19/h4-7,13,21H,8-12H2,1-3H3,(H,20,24).
What are the key properties of tert-butyl N-[2-[4-(2-chloroanilino)piperidin-1-yl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[4-(2-chloroanilino)piperidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 367.88 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(2-chloroanilino)piperidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 66591390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).