N-[(4-methylpiperidin-4-yl)methyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide

C18H34N4O2 — CID 128826057

IUPACN-[(4-methylpiperidin-4-yl)methyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide
SMILESCC1(CNC(=O)N2CCN(CC3CCOCC3)CC2)CCNCC1
InChIInChI=1S/C18H34N4O2/c1-18(4-6-19-7-5-18)15-20-17(23)22-10-8-21(9-11-22)14-16-2-12-24-13-3-16/h16,19H,2-15H2,1H3,(H,20,23)
InChIKeyOPCBXDVMOCBBFL-UHFFFAOYSA-N
MW338.50 g/mol
LogP1.13
Rot. Bonds4

About N-[(4-methylpiperidin-4-yl)methyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide

N-[(4-methylpiperidin-4-yl)methyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 128826057) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[(4-methylpiperidin-4-yl)methyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methylpiperidin-4-yl)methyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide
PubChem CID128826057
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC NameN-[(4-methylpiperidin-4-yl)methyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide
SMILESCC1(CNC(=O)N2CCN(CC3CCOCC3)CC2)CCNCC1
InChIInChI=1S/C18H34N4O2/c1-18(4-6-19-7-5-18)15-20-17(23)22-10-8-21(9-11-22)14-16-2-12-24-13-3-16/h16,19H,2-15H2,1H3,(H,20,23)
InChIKeyOPCBXDVMOCBBFL-UHFFFAOYSA-N
XLogP1.13
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperidin-4-yl)methyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(4-methylpiperidin-4-yl)methyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide (CID 128826057) is N-[(4-methylpiperidin-4-yl)methyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-methylpiperidin-4-yl)methyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(4-methylpiperidin-4-yl)methyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide is CC1(CNC(=O)N2CCN(CC3CCOCC3)CC2)CCNCC1.
What is the InChIKey of N-[(4-methylpiperidin-4-yl)methyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is OPCBXDVMOCBBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-18(4-6-19-7-5-18)15-20-17(23)22-10-8-21(9-11-22)14-16-2-12-24-13-3-16/h16,19H,2-15H2,1H3,(H,20,23).
What are the key properties of N-[(4-methylpiperidin-4-yl)methyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide?
N-[(4-methylpiperidin-4-yl)methyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 338.50 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperidin-4-yl)methyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 128826057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).