N-tert-butyl-3-hydroxy-1-piperidin-4-ylpiperidine-3-carboxamide

C15H29N3O2 — CID 71103774

IUPACN-tert-butyl-3-hydroxy-1-piperidin-4-ylpiperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1(O)CCCN(C2CCNCC2)C1
InChIInChI=1S/C15H29N3O2/c1-14(2,3)17-13(19)15(20)7-4-10-18(11-15)12-5-8-16-9-6-12/h12,16,20H,4-11H2,1-3H3,(H,17,19)
InChIKeyXESCGNOWSVAAKI-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.48
Rot. Bonds2

About N-tert-butyl-3-hydroxy-1-piperidin-4-ylpiperidine-3-carboxamide

N-tert-butyl-3-hydroxy-1-piperidin-4-ylpiperidine-3-carboxamide (PubChem CID 71103774) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-tert-butyl-3-hydroxy-1-piperidin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-hydroxy-1-piperidin-4-ylpiperidine-3-carboxamide
PubChem CID71103774
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-tert-butyl-3-hydroxy-1-piperidin-4-ylpiperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1(O)CCCN(C2CCNCC2)C1
InChIInChI=1S/C15H29N3O2/c1-14(2,3)17-13(19)15(20)7-4-10-18(11-15)12-5-8-16-9-6-12/h12,16,20H,4-11H2,1-3H3,(H,17,19)
InChIKeyXESCGNOWSVAAKI-UHFFFAOYSA-N
XLogP0.48
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-hydroxy-1-piperidin-4-ylpiperidine-3-carboxamide?
The IUPAC name of N-tert-butyl-3-hydroxy-1-piperidin-4-ylpiperidine-3-carboxamide (CID 71103774) is N-tert-butyl-3-hydroxy-1-piperidin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-3-hydroxy-1-piperidin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-3-hydroxy-1-piperidin-4-ylpiperidine-3-carboxamide is CC(C)(C)NC(=O)C1(O)CCCN(C2CCNCC2)C1.
What is the InChIKey of N-tert-butyl-3-hydroxy-1-piperidin-4-ylpiperidine-3-carboxamide?
The InChIKey is XESCGNOWSVAAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-14(2,3)17-13(19)15(20)7-4-10-18(11-15)12-5-8-16-9-6-12/h12,16,20H,4-11H2,1-3H3,(H,17,19).
What are the key properties of N-tert-butyl-3-hydroxy-1-piperidin-4-ylpiperidine-3-carboxamide?
N-tert-butyl-3-hydroxy-1-piperidin-4-ylpiperidine-3-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-hydroxy-1-piperidin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 71103774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).