tert-butyl N-[[(2R)-1-[(4-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate

C19H29N3O3 — CID 94799225

IUPACtert-butyl N-[[(2R)-1-[(4-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H29N3O3/c1-19(2,3)25-18(24)21-12-16-6-4-5-11-22(16)13-14-7-9-15(10-8-14)17(20)23/h7-10,16H,4-6,11-13H2,1-3H3,(H2,20,23)(H,21,24)/t16-/m1/s1
InChIKeyIEIBHTQOMPXKCJ-MRXNPFEDSA-N
MW347.46 g/mol
LogP2.66
Rot. Bonds5

About tert-butyl N-[[(2R)-1-[(4-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate

tert-butyl N-[[(2R)-1-[(4-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate (PubChem CID 94799225) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is tert-butyl N-[[(2R)-1-[(4-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2R)-1-[(4-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate
PubChem CID94799225
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nametert-butyl N-[[(2R)-1-[(4-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H29N3O3/c1-19(2,3)25-18(24)21-12-16-6-4-5-11-22(16)13-14-7-9-15(10-8-14)17(20)23/h7-10,16H,4-6,11-13H2,1-3H3,(H2,20,23)(H,21,24)/t16-/m1/s1
InChIKeyIEIBHTQOMPXKCJ-MRXNPFEDSA-N
XLogP2.66
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[(2R)-1-[(4-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate with MolForge

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Related Compounds

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4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
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tert-butyl N-[[(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methyl]carbamate
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tert-butyl N-[[1-[(3-cyanophenyl)methyl]piperidin-2-yl]methyl]carbamate
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2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
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tert-butyl N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]methyl]carbamate
CID 71632263
tert-butyl N-[[(2R)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-2-yl]methyl]carbamate
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tert-butyl N-[[(2S)-1-[(2,4-dichloropyrimidin-5-yl)methyl]piperidin-2-yl]methyl]carbamate
CID 97174287
tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate
CID 60606736
tert-butyl N-[[1-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]carbamate
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tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2R)-1-[(4-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2R)-1-[(4-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate (CID 94799225) is tert-butyl N-[[(2R)-1-[(4-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2R)-1-[(4-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2R)-1-[(4-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1ccc(C(N)=O)cc1.
What is the InChIKey of tert-butyl N-[[(2R)-1-[(4-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate?
The InChIKey is IEIBHTQOMPXKCJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-19(2,3)25-18(24)21-12-16-6-4-5-11-22(16)13-14-7-9-15(10-8-14)17(20)23/h7-10,16H,4-6,11-13H2,1-3H3,(H2,20,23)(H,21,24)/t16-/m1/s1.
What are the key properties of tert-butyl N-[[(2R)-1-[(4-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate?
tert-butyl N-[[(2R)-1-[(4-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate has a molecular weight of 347.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2R)-1-[(4-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 94799225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).