methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate

C15H28N2O3 — CID 79038248

IUPACmethyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate
SMILESCCCC(C)NC(=O)C(C)N1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C15H28N2O3/c1-5-7-11(2)16-14(18)12(3)17-9-6-8-13(10-17)15(19)20-4/h11-13H,5-10H2,1-4H3,(H,16,18)/t11?,12?,13-/m0/s1
InChIKeyXJQPKBXEDHAMDO-BPCQOVAHSA-N
MW284.40 g/mol
LogP1.56
Rot. Bonds6

About methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate

methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate (PubChem CID 79038248) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate
PubChem CID79038248
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate
SMILESCCCC(C)NC(=O)C(C)N1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C15H28N2O3/c1-5-7-11(2)16-14(18)12(3)17-9-6-8-13(10-17)15(19)20-4/h11-13H,5-10H2,1-4H3,(H,16,18)/t11?,12?,13-/m0/s1
InChIKeyXJQPKBXEDHAMDO-BPCQOVAHSA-N
XLogP1.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78921832
methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 79037827
methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920649
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444435
methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920382
methyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920334
methyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 78920485
2-(4-acetylpiperidin-1-yl)-N-pentan-2-ylpropanamide
CID 63845307
N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119917040
ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81360759
ethyl (3R)-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81338323
ethyl (3R)-1-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]piperidine-3-carboxylate
CID 27069320

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate (CID 79038248) is methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate is CCCC(C)NC(=O)C(C)N1CCC[C@H](C(=O)OC)C1.
What is the InChIKey of methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate?
The InChIKey is XJQPKBXEDHAMDO-BPCQOVAHSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-7-11(2)16-14(18)12(3)17-9-6-8-13(10-17)15(19)20-4/h11-13H,5-10H2,1-4H3,(H,16,18)/t11?,12?,13-/m0/s1.
What are the key properties of methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate?
methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate is sourced from PubChem (CID 79038248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).