tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate

C17H32N2O4 — CID 3493104

IUPACtert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)OCCCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H32N2O4/c1-13(2)22-12-6-9-18-15(20)14-7-10-19(11-8-14)16(21)23-17(3,4)5/h13-14H,6-12H2,1-5H3,(H,18,20)
InChIKeyPEYSYHPZYXKPLW-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.56
Rot. Bonds6

About tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate

tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate (PubChem CID 3493104) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate
PubChem CID3493104
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Nametert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)OCCCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H32N2O4/c1-13(2)22-12-6-9-18-15(20)14-7-10-19(11-8-14)16(21)23-17(3,4)5/h13-14H,6-12H2,1-5H3,(H,18,20)
InChIKeyPEYSYHPZYXKPLW-UHFFFAOYSA-N
XLogP2.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate
CID 4268905
1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 119720652
tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 57496371
tert-butyl 4-(5-methylsulfonyloxypentylcarbamoyl)piperidine-1-carboxylate
CID 140841497
tert-butyl 4-[3-(2-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate
CID 55946757
1-(1-aminocyclohexanecarbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 119287849
1-(piperidine-3-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 119287847
1-(4-methoxybenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 94180810
tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate
CID 51232746
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
tert-butyl 4-[2-(4-methylpiperidin-1-yl)propylcarbamoyl]piperidine-1-carboxylate
CID 110620686

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate (CID 3493104) is tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate is CC(C)OCCCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is PEYSYHPZYXKPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-13(2)22-12-6-9-18-15(20)14-7-10-19(11-8-14)16(21)23-17(3,4)5/h13-14H,6-12H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 328.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 3493104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).