ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate

C14H27N3O3 — CID 60962778

IUPACethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)C(N)CC(C)C)C1
InChIInChI=1S/C14H27N3O3/c1-4-20-14(19)16-11-6-5-7-17(9-11)13(18)12(15)8-10(2)3/h10-12H,4-9,15H2,1-3H3,(H,16,19)
InChIKeyPUFNTYYRIBRNPO-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.10
Rot. Bonds5

About ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate

ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate (PubChem CID 60962778) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate
PubChem CID60962778
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nameethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)C(N)CC(C)C)C1
InChIInChI=1S/C14H27N3O3/c1-4-20-14(19)16-11-6-5-7-17(9-11)13(18)12(15)8-10(2)3/h10-12H,4-9,15H2,1-3H3,(H,16,19)
InChIKeyPUFNTYYRIBRNPO-UHFFFAOYSA-N
XLogP1.10
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclo(L-leucyl-L-leucyl)
CID 192731
Cyclo(alanyl-leucyl)
CID 13879946
LM11A-31
CID 18604758
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
(3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione
CID 25220884
3-Isobutyl-6-methyl-2,5-piperazinedione
CID 3634567
Ethyl 4-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]piperazine-1-carboxylate
CID 53384144
2-[[(3S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide
CID 57341633
2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide
CID 57343683
(3R,6R)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 12206395
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156
Cyclo-(L-Val-L-Leu)
CID 124306170

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate (CID 60962778) is ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(C(=O)C(N)CC(C)C)C1.
What is the InChIKey of ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate?
The InChIKey is PUFNTYYRIBRNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-20-14(19)16-11-6-5-7-17(9-11)13(18)12(15)8-10(2)3/h10-12H,4-9,15H2,1-3H3,(H,16,19).
What are the key properties of ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate?
ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate has a molecular weight of 285.39 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 60962778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).