(2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide

C26H37N5O2 — CID 162370197

IUPAC(2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide
SMILESCOc1cccnc1N1CCN(C(=O)NCCC2CCN(Cc3ccccc3)CC2)[C@H](C)C1
InChIInChI=1S/C26H37N5O2/c1-21-19-30(25-24(33-2)9-6-13-27-25)17-18-31(21)26(32)28-14-10-22-11-15-29(16-12-22)20-23-7-4-3-5-8-23/h3-9,13,21-22H,10-12,14-20H2,1-2H3,(H,28,32)/t21-/m1/s1
InChIKeyKNQZKUORHYPCRI-OAQYLSRUSA-N
MW451.62 g/mol
LogP3.61
Rot. Bonds7

About (2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide

(2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide (PubChem CID 162370197) has the molecular formula C26H37N5O2 and a molecular weight of 451.62 g/mol. Its IUPAC name is (2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide
PubChem CID162370197
Molecular FormulaC26H37N5O2
Molecular Weight451.62 g/mol
Exact Mass451.29
IUPAC Name(2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide
SMILESCOc1cccnc1N1CCN(C(=O)NCCC2CCN(Cc3ccccc3)CC2)[C@H](C)C1
InChIInChI=1S/C26H37N5O2/c1-21-19-30(25-24(33-2)9-6-13-27-25)17-18-31(21)26(32)28-14-10-22-11-15-29(16-12-22)20-23-7-4-3-5-8-23/h3-9,13,21-22H,10-12,14-20H2,1-2H3,(H,28,32)/t21-/m1/s1
InChIKeyKNQZKUORHYPCRI-OAQYLSRUSA-N
XLogP3.61
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.62
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of (2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide (CID 162370197) is (2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide is COc1cccnc1N1CCN(C(=O)NCCC2CCN(Cc3ccccc3)CC2)[C@H](C)C1.
What is the InChIKey of (2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide?
The InChIKey is KNQZKUORHYPCRI-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H37N5O2/c1-21-19-30(25-24(33-2)9-6-13-27-25)17-18-31(21)26(32)28-14-10-22-11-15-29(16-12-22)20-23-7-4-3-5-8-23/h3-9,13,21-22H,10-12,14-20H2,1-2H3,(H,28,32)/t21-/m1/s1.
What are the key properties of (2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide?
(2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide has a molecular weight of 451.62 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 162370197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).