N-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide

C16H27N5O2 — CID 71985669

IUPACN-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
SMILESCN1CCCC(CNC(=O)N2CCN(Cc3ccon3)CC2)C1
InChIInChI=1S/C16H27N5O2/c1-19-5-2-3-14(12-19)11-17-16(22)21-8-6-20(7-9-21)13-15-4-10-23-18-15/h4,10,14H,2-3,5-9,11-13H2,1H3,(H,17,22)
InChIKeyJQCCSLJKVNWANK-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.84
Rot. Bonds4

About N-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide

N-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 71985669) has the molecular formula C16H27N5O2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
PubChem CID71985669
Molecular FormulaC16H27N5O2
Molecular Weight321.42 g/mol
Exact Mass321.22
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
SMILESCN1CCCC(CNC(=O)N2CCN(Cc3ccon3)CC2)C1
InChIInChI=1S/C16H27N5O2/c1-19-5-2-3-14(12-19)11-17-16(22)21-8-6-20(7-9-21)13-15-4-10-23-18-15/h4,10,14H,2-3,5-9,11-13H2,1H3,(H,17,22)
InChIKeyJQCCSLJKVNWANK-UHFFFAOYSA-N
XLogP0.84
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide (CID 71985669) is N-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide is CN1CCCC(CNC(=O)N2CCN(Cc3ccon3)CC2)C1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is JQCCSLJKVNWANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-19-5-2-3-14(12-19)11-17-16(22)21-8-6-20(7-9-21)13-15-4-10-23-18-15/h4,10,14H,2-3,5-9,11-13H2,1H3,(H,17,22).
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
N-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 71985669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).