tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate

C14H25N3O5 — CID 44549256

IUPACtert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate
SMILESCOC(=O)[C@H](C)NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25N3O5/c1-10(11(18)21-5)15-12(19)16-6-8-17(9-7-16)13(20)22-14(2,3)4/h10H,6-9H2,1-5H3,(H,15,19)/t10-/m0/s1
InChIKeyGFTHAJNHWANOKF-JTQLQIEISA-N
MW315.37 g/mol
LogP0.81
Rot. Bonds2

About tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate

tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate (PubChem CID 44549256) has the molecular formula C14H25N3O5 and a molecular weight of 315.37 g/mol. Its IUPAC name is tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate
PubChem CID44549256
Molecular FormulaC14H25N3O5
Molecular Weight315.37 g/mol
Exact Mass315.18
IUPAC Nametert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate
SMILESCOC(=O)[C@H](C)NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25N3O5/c1-10(11(18)21-5)15-12(19)16-6-8-17(9-7-16)13(20)22-14(2,3)4/h10H,6-9H2,1-5H3,(H,15,19)/t10-/m0/s1
InChIKeyGFTHAJNHWANOKF-JTQLQIEISA-N
XLogP0.81
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]piperazine-1-carboxylate
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tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
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tert-butyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
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tert-butyl 3-[(1-methoxy-1-oxopropan-2-yl)amino]pyrrolidine-1-carboxylate
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tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate
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tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]oxypiperidine-1-carboxylate
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1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124044
tert-butyl 4-(1-hydrazinyl-1-oxopropan-2-yl)piperazine-1-carboxylate
CID 71823809
tert-butyl 4-[[(2R)-1-[[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-ethoxy-4-oxobut-2-enoyl]hydrazinyl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate
CID 45483343

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate (CID 44549256) is tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate is COC(=O)[C@H](C)NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate?
The InChIKey is GFTHAJNHWANOKF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H25N3O5/c1-10(11(18)21-5)15-12(19)16-6-8-17(9-7-16)13(20)22-14(2,3)4/h10H,6-9H2,1-5H3,(H,15,19)/t10-/m0/s1.
What are the key properties of tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate?
tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 44549256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).