[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate

C16H28N2O4 — CID 67232140

IUPAC[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate
SMILESCC(C)(C)OC(=O)NCC1CCN(COC(=O)C2CC2)CC1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)22-15(20)17-10-12-6-8-18(9-7-12)11-21-14(19)13-4-5-13/h12-13H,4-11H2,1-3H3,(H,17,20)
InChIKeyKOUGILQPNXCATA-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.13
Rot. Bonds5

About [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate

[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate (PubChem CID 67232140) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate.

Molecular Properties

Compound Name[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate
PubChem CID67232140
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate
SMILESCC(C)(C)OC(=O)NCC1CCN(COC(=O)C2CC2)CC1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)22-15(20)17-10-12-6-8-18(9-7-12)11-21-14(19)13-4-5-13/h12-13H,4-11H2,1-3H3,(H,17,20)
InChIKeyKOUGILQPNXCATA-UHFFFAOYSA-N
XLogP2.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclobutanecarboxylate
CID 142779720
tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
CID 141128397
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
acetic acid;tert-butyl N-[[1-(piperidin-1-ylmethyl)piperidin-4-yl]methyl]carbamate
CID 174671121
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 141269835
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566396
tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate
CID 83981043
tert-butyl N-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]carbamate
CID 66565988
tert-butyl N-[[1-(2-chloroprop-2-enyl)piperidin-4-yl]methyl]carbamate
CID 71967835
tert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate
CID 124606498
tert-butyl N-[(1-ethylsulfanylpiperidin-4-yl)methyl]carbamate
CID 130293559

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate?
The IUPAC name of [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate (CID 67232140) is [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate.
What is the SMILES notation for [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate?
The canonical SMILES for [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate is CC(C)(C)OC(=O)NCC1CCN(COC(=O)C2CC2)CC1.
What is the InChIKey of [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate?
The InChIKey is KOUGILQPNXCATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-16(2,3)22-15(20)17-10-12-6-8-18(9-7-12)11-21-14(19)13-4-5-13/h12-13H,4-11H2,1-3H3,(H,17,20).
What are the key properties of [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate?
[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate has a molecular weight of 312.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate is sourced from PubChem (CID 67232140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).