N-cyclopentyl-4-[4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidin-1-yl]benzamide

C22H31N5O2 — CID 42407613

IUPACN-cyclopentyl-4-[4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidin-1-yl]benzamide
SMILESCc1nnc(CN(C)C2CCN(c3ccc(C(=O)NC4CCCC4)cc3)CC2)o1
InChIInChI=1S/C22H31N5O2/c1-16-24-25-21(29-16)15-26(2)19-11-13-27(14-12-19)20-9-7-17(8-10-20)22(28)23-18-5-3-4-6-18/h7-10,18-19H,3-6,11-15H2,1-2H3,(H,23,28)
InChIKeyLAPMPLXKAGTOKE-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.15
Rot. Bonds6

About N-cyclopentyl-4-[4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidin-1-yl]benzamide

N-cyclopentyl-4-[4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidin-1-yl]benzamide (PubChem CID 42407613) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-cyclopentyl-4-[4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidin-1-yl]benzamide
PubChem CID42407613
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC NameN-cyclopentyl-4-[4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidin-1-yl]benzamide
SMILESCc1nnc(CN(C)C2CCN(c3ccc(C(=O)NC4CCCC4)cc3)CC2)o1
InChIInChI=1S/C22H31N5O2/c1-16-24-25-21(29-16)15-26(2)19-11-13-27(14-12-19)20-9-7-17(8-10-20)22(28)23-18-5-3-4-6-18/h7-10,18-19H,3-6,11-15H2,1-2H3,(H,23,28)
InChIKeyLAPMPLXKAGTOKE-UHFFFAOYSA-N
XLogP3.15
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidin-1-yl]benzamide?
The IUPAC name of N-cyclopentyl-4-[4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidin-1-yl]benzamide (CID 42407613) is N-cyclopentyl-4-[4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidin-1-yl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidin-1-yl]benzamide?
The canonical SMILES for N-cyclopentyl-4-[4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidin-1-yl]benzamide is Cc1nnc(CN(C)C2CCN(c3ccc(C(=O)NC4CCCC4)cc3)CC2)o1.
What is the InChIKey of N-cyclopentyl-4-[4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidin-1-yl]benzamide?
The InChIKey is LAPMPLXKAGTOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-16-24-25-21(29-16)15-26(2)19-11-13-27(14-12-19)20-9-7-17(8-10-20)22(28)23-18-5-3-4-6-18/h7-10,18-19H,3-6,11-15H2,1-2H3,(H,23,28).
What are the key properties of N-cyclopentyl-4-[4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidin-1-yl]benzamide?
N-cyclopentyl-4-[4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidin-1-yl]benzamide has a molecular weight of 397.52 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[4-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]piperidin-1-yl]benzamide is sourced from PubChem (CID 42407613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).