tert-butyl N-[1-[[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]carbamate

C24H43N3O4 — CID 31863595

IUPACtert-butyl N-[1-[[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)CCCCCC1
InChIInChI=1S/C24H43N3O4/c1-22(2,3)20(29)27-15-11-18(12-16-27)19(28)25-17-24(13-9-7-8-10-14-24)26-21(30)31-23(4,5)6/h18H,7-17H2,1-6H3,(H,25,28)(H,26,30)
InChIKeyHYXDXVDHQPSNTK-UHFFFAOYSA-N
MW437.63 g/mol
LogP4.01
Rot. Bonds4

About tert-butyl N-[1-[[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]carbamate

tert-butyl N-[1-[[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]carbamate (PubChem CID 31863595) has the molecular formula C24H43N3O4 and a molecular weight of 437.63 g/mol. Its IUPAC name is tert-butyl N-[1-[[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]carbamate
PubChem CID31863595
Molecular FormulaC24H43N3O4
Molecular Weight437.63 g/mol
Exact Mass437.33
IUPAC Nametert-butyl N-[1-[[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)CCCCCC1
InChIInChI=1S/C24H43N3O4/c1-22(2,3)20(29)27-15-11-18(12-16-27)19(28)25-17-24(13-9-7-8-10-14-24)26-21(30)31-23(4,5)6/h18H,7-17H2,1-6H3,(H,25,28)(H,26,30)
InChIKeyHYXDXVDHQPSNTK-UHFFFAOYSA-N
XLogP4.01
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.63
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]carbamate with MolForge

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
CID 111445850
tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate
CID 139520312
tert-butyl N-[1-[[(2-cyclopentyloxyacetyl)amino]methyl]cycloheptyl]carbamate
CID 60545517
tert-butyl N-[1-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]cycloheptyl]carbamate
CID 55967344
tert-butyl N-[1-[(2-methylsulfanylpropanoylamino)methyl]cycloheptyl]carbamate
CID 60545414
tert-butyl N-[1-[[(2-cyano-2-methylpropanoyl)amino]methyl]cycloheptyl]carbamate
CID 60545492
tert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 107243370
tert-butyl N-[1-(bromomethyl)-3-methylcyclohexyl]carbamate
CID 114314705
tert-butyl N-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cycloheptyl]carbamate
CID 87036408
tert-butyl N-[1-[[(4-carbamoylbenzoyl)amino]methyl]cycloheptyl]carbamate
CID 31863487
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110416791
ethyl 4-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]butanoate
CID 78794482

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]carbamate?
The IUPAC name of tert-butyl N-[1-[[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]carbamate (CID 31863595) is tert-butyl N-[1-[[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]carbamate is CC(C)(C)OC(=O)NC1(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)CCCCCC1.
What is the InChIKey of tert-butyl N-[1-[[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]carbamate?
The InChIKey is HYXDXVDHQPSNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N3O4/c1-22(2,3)20(29)27-15-11-18(12-16-27)19(28)25-17-24(13-9-7-8-10-14-24)26-21(30)31-23(4,5)6/h18H,7-17H2,1-6H3,(H,25,28)(H,26,30).
What are the key properties of tert-butyl N-[1-[[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]carbamate?
tert-butyl N-[1-[[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]carbamate has a molecular weight of 437.63 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]carbamate is sourced from PubChem (CID 31863595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).