N-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide

C20H31N3O2 — CID 119861772

IUPACN-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCC2CCCCN2Cc2ccccc2)CCNCC1
InChIInChI=1S/C20H31N3O2/c1-25-20(10-12-21-13-11-20)19(24)22-15-18-9-5-6-14-23(18)16-17-7-3-2-4-8-17/h2-4,7-8,18,21H,5-6,9-16H2,1H3,(H,22,24)
InChIKeyQAXJDJOSMVNJEB-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.93
Rot. Bonds6

About N-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide

N-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119861772) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119861772
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCC2CCCCN2Cc2ccccc2)CCNCC1
InChIInChI=1S/C20H31N3O2/c1-25-20(10-12-21-13-11-20)19(24)22-15-18-9-5-6-14-23(18)16-17-7-3-2-4-8-17/h2-4,7-8,18,21H,5-6,9-16H2,1H3,(H,22,24)
InChIKeyQAXJDJOSMVNJEB-UHFFFAOYSA-N
XLogP1.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide (CID 119861772) is N-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCC2CCCCN2Cc2ccccc2)CCNCC1.
What is the InChIKey of N-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is QAXJDJOSMVNJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-25-20(10-12-21-13-11-20)19(24)22-15-18-9-5-6-14-23(18)16-17-7-3-2-4-8-17/h2-4,7-8,18,21H,5-6,9-16H2,1H3,(H,22,24).
What are the key properties of N-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide?
N-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119861772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).