ethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate

C15H29N3O3 — CID 94154347

IUPACethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@H]1CCCN([C@@H](C)C(=O)NC(C)(C)C)C1
InChIInChI=1S/C15H29N3O3/c1-6-21-14(20)16-12-8-7-9-18(10-12)11(2)13(19)17-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,20)(H,17,19)/t11-,12-/m0/s1
InChIKeyDHBBJKCEOHEPIK-RYUDHWBXSA-N
MW299.42 g/mol
LogP1.50
Rot. Bonds4

About ethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate

ethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate (PubChem CID 94154347) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is ethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate
PubChem CID94154347
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Nameethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@H]1CCCN([C@@H](C)C(=O)NC(C)(C)C)C1
InChIInChI=1S/C15H29N3O3/c1-6-21-14(20)16-12-8-7-9-18(10-12)11(2)13(19)17-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,20)(H,17,19)/t11-,12-/m0/s1
InChIKeyDHBBJKCEOHEPIK-RYUDHWBXSA-N
XLogP1.50
TPSA70.67 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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate
CID 86993293
2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide
CID 55258736
N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847259
N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63241398
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62028386
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-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate
CID 65269908
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate
CID 60962778
ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate
CID 115949885
ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
CID 54873299

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate (CID 94154347) is ethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate is CCOC(=O)N[C@H]1CCCN([C@@H](C)C(=O)NC(C)(C)C)C1.
What is the InChIKey of ethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate?
The InChIKey is DHBBJKCEOHEPIK-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-6-21-14(20)16-12-8-7-9-18(10-12)11(2)13(19)17-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,20)(H,17,19)/t11-,12-/m0/s1.
What are the key properties of ethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate?
ethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate has a molecular weight of 299.42 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate is sourced from PubChem (CID 94154347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).