N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide

C16H26N4O2 — CID 53185140

IUPACN-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)NC(C)(C)C)CC2)cn1
InChIInChI=1S/C16H26N4O2/c1-16(2,3)18-15(21)20-9-7-19(8-10-20)12-13-5-6-14(22-4)17-11-13/h5-6,11H,7-10,12H2,1-4H3,(H,18,21)
InChIKeyWHJKUTSOMFNCRM-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.72
Rot. Bonds3

About N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide

N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide (PubChem CID 53185140) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
PubChem CID53185140
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)NC(C)(C)C)CC2)cn1
InChIInChI=1S/C16H26N4O2/c1-16(2,3)18-15(21)20-9-7-19(8-10-20)12-13-5-6-14(22-4)17-11-13/h5-6,11H,7-10,12H2,1-4H3,(H,18,21)
InChIKeyWHJKUTSOMFNCRM-UHFFFAOYSA-N
XLogP1.72
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide (CID 53185140) is N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide is COc1ccc(CN2CCN(C(=O)NC(C)(C)C)CC2)cn1.
What is the InChIKey of N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide?
The InChIKey is WHJKUTSOMFNCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-16(2,3)18-15(21)20-9-7-19(8-10-20)12-13-5-6-14(22-4)17-11-13/h5-6,11H,7-10,12H2,1-4H3,(H,18,21).
What are the key properties of N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide?
N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 53185140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).