ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate

C15H29N3O3 — CID 65269908

IUPACethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)C(C)(C)C(C)(C)N)C1
InChIInChI=1S/C15H29N3O3/c1-6-21-13(20)17-11-8-7-9-18(10-11)12(19)14(2,3)15(4,5)16/h11H,6-10,16H2,1-5H3,(H,17,20)
InChIKeyLDLZBJNCIGDEHF-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.49
Rot. Bonds4

About ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate

ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate (PubChem CID 65269908) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate
PubChem CID65269908
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Nameethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)C(C)(C)C(C)(C)N)C1
InChIInChI=1S/C15H29N3O3/c1-6-21-13(20)17-11-8-7-9-18(10-11)12(19)14(2,3)15(4,5)16/h11H,6-10,16H2,1-5H3,(H,17,20)
InChIKeyLDLZBJNCIGDEHF-UHFFFAOYSA-N
XLogP1.49
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate
CID 115949885
ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
CID 54873265
2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 61066497
ethyl N-[1-(2-bromopropanoyl)piperidin-3-yl]carbamate
CID 107904566
ethyl N-[1-(2-chloropropanoyl)piperidin-3-yl]carbamate
CID 54876025
ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
CID 54873299
ethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate
CID 94183634
ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate
CID 79473770
ethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate
CID 64822043
ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate
CID 60962778
ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate
CID 174735969
ethyl N-[1-(5-aminohexanoyl)piperidin-3-yl]carbamate
CID 82851351

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate (CID 65269908) is ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(C(=O)C(C)(C)C(C)(C)N)C1.
What is the InChIKey of ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate?
The InChIKey is LDLZBJNCIGDEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-6-21-13(20)17-11-8-7-9-18(10-11)12(19)14(2,3)15(4,5)16/h11H,6-10,16H2,1-5H3,(H,17,20).
What are the key properties of ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate?
ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate has a molecular weight of 299.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 65269908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).