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

C19H34N2O4 — CID 67232469

IUPACmethyl 1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(CN2CCC(CNC(=O)OC(C)(C)C)CC2)CCCC1
InChIInChI=1S/C19H34N2O4/c1-18(2,3)25-17(23)20-13-15-7-11-21(12-8-15)14-19(16(22)24-4)9-5-6-10-19/h15H,5-14H2,1-4H3,(H,20,23)
InChIKeyKVOOEBVRARCYGP-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.96
Rot. Bonds5

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

methyl 1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate (PubChem CID 67232469) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is methyl 1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate
PubChem CID67232469
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Namemethyl 1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(CN2CCC(CNC(=O)OC(C)(C)C)CC2)CCCC1
InChIInChI=1S/C19H34N2O4/c1-18(2,3)25-17(23)20-13-15-7-11-21(12-8-15)14-19(16(22)24-4)9-5-6-10-19/h15H,5-14H2,1-4H3,(H,20,23)
InChIKeyKVOOEBVRARCYGP-UHFFFAOYSA-N
XLogP2.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate with MolForge

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Related Compounds

4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylic acid
CID 67231994
tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
CID 141128397
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
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
tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate
CID 53256365
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566396
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-[(1-propylpyrrolidin-3-yl)methyl]carbamate
CID 83981043
tert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate
CID 124606498

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate (CID 67232469) is methyl 1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate is COC(=O)C1(CN2CCC(CNC(=O)OC(C)(C)C)CC2)CCCC1.
What is the InChIKey of methyl 1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate?
The InChIKey is KVOOEBVRARCYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4/c1-18(2,3)25-17(23)20-13-15-7-11-21(12-8-15)14-19(16(22)24-4)9-5-6-10-19/h15H,5-14H2,1-4H3,(H,20,23).
What are the key properties of methyl 1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate?
methyl 1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate has a molecular weight of 354.49 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 67232469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).