tert-butyl N-[[1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate

C19H29N3O3 — CID 49435157

IUPACtert-butyl N-[[1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCN1Cc1cccc(C(N)=O)c1
InChIInChI=1S/C19H29N3O3/c1-19(2,3)25-18(24)21-12-16-9-4-5-10-22(16)13-14-7-6-8-15(11-14)17(20)23/h6-8,11,16H,4-5,9-10,12-13H2,1-3H3,(H2,20,23)(H,21,24)
InChIKeyDFJPGUXOCVXGGZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.66
Rot. Bonds5

About tert-butyl N-[[1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate

tert-butyl N-[[1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate (PubChem CID 49435157) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is tert-butyl N-[[1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate
PubChem CID49435157
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nametert-butyl N-[[1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCN1Cc1cccc(C(N)=O)c1
InChIInChI=1S/C19H29N3O3/c1-19(2,3)25-18(24)21-12-16-9-4-5-10-22(16)13-14-7-6-8-15(11-14)17(20)23/h6-8,11,16H,4-5,9-10,12-13H2,1-3H3,(H2,20,23)(H,21,24)
InChIKeyDFJPGUXOCVXGGZ-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate (CID 49435157) is tert-butyl N-[[1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCCN1Cc1cccc(C(N)=O)c1.
What is the InChIKey of tert-butyl N-[[1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate?
The InChIKey is DFJPGUXOCVXGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-19(2,3)25-18(24)21-12-16-9-4-5-10-22(16)13-14-7-6-8-15(11-14)17(20)23/h6-8,11,16H,4-5,9-10,12-13H2,1-3H3,(H2,20,23)(H,21,24).
What are the key properties of tert-butyl N-[[1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate?
tert-butyl N-[[1-[(3-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-[[1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 49435157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).