tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate

C18H26N2O3 — CID 8868940

IUPACtert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)23-17(22)19-13-14-7-9-15(10-8-14)16(21)20-11-5-4-6-12-20/h7-10H,4-6,11-13H2,1-3H3,(H,19,22)
InChIKeyVGICYYYKLDFHRO-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.34
Rot. Bonds3

About tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate

tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate (PubChem CID 8868940) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate
PubChem CID8868940
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nametert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)23-17(22)19-13-14-7-9-15(10-8-14)16(21)20-11-5-4-6-12-20/h7-10H,4-6,11-13H2,1-3H3,(H,19,22)
InChIKeyVGICYYYKLDFHRO-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate
CID 24537576
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
tert-butyl N-[3-[[N-ethyl-N'-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamimidoyl]amino]propyl]carbamate
CID 111886241
tert-butyl N-[[4-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carbonyl]phenyl]methyl]carbamate
CID 71829762
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119694800
tert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate
CID 22285081
(1S)-2,2-dichloro-1-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 51868895
tert-butyl N-[[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]methyl]carbamate
CID 22710552
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119274102
1,2-dimethyl-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 110918753
tert-butyl N-[[4-[cyclohexyl(ethyl)carbamoyl]phenyl]methyl]carbamate
CID 24632584

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate (CID 8868940) is tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate?
The InChIKey is VGICYYYKLDFHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(2,3)23-17(22)19-13-14-7-9-15(10-8-14)16(21)20-11-5-4-6-12-20/h7-10H,4-6,11-13H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate?
tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate has a molecular weight of 318.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate is sourced from PubChem (CID 8868940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).