N-tert-butyl-4-piperidin-1-ylpiperidine-1-carboxamide

C15H29N3O — CID 14571193

IUPACN-tert-butyl-4-piperidin-1-ylpiperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-15(2,3)16-14(19)18-11-7-13(8-12-18)17-9-5-4-6-10-17/h13H,4-12H2,1-3H3,(H,16,19)
InChIKeyGKKNHCNPFLXMAC-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.44
Rot. Bonds1

About N-tert-butyl-4-piperidin-1-ylpiperidine-1-carboxamide

N-tert-butyl-4-piperidin-1-ylpiperidine-1-carboxamide (PubChem CID 14571193) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-tert-butyl-4-piperidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-piperidin-1-ylpiperidine-1-carboxamide
PubChem CID14571193
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-tert-butyl-4-piperidin-1-ylpiperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-15(2,3)16-14(19)18-11-7-13(8-12-18)17-9-5-4-6-10-17/h13H,4-12H2,1-3H3,(H,16,19)
InChIKeyGKKNHCNPFLXMAC-UHFFFAOYSA-N
XLogP2.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-piperidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-piperidin-1-ylpiperidine-1-carboxamide (CID 14571193) is N-tert-butyl-4-piperidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-piperidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-piperidin-1-ylpiperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of N-tert-butyl-4-piperidin-1-ylpiperidine-1-carboxamide?
The InChIKey is GKKNHCNPFLXMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-15(2,3)16-14(19)18-11-7-13(8-12-18)17-9-5-4-6-10-17/h13H,4-12H2,1-3H3,(H,16,19).
What are the key properties of N-tert-butyl-4-piperidin-1-ylpiperidine-1-carboxamide?
N-tert-butyl-4-piperidin-1-ylpiperidine-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-piperidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 14571193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).