(2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide

C26H37N5O2 — CID 162370217

IUPAC(2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)NCCC3CCN(Cc4ccccc4)CC3)[C@H](C)C2)n1
InChIInChI=1S/C26H37N5O2/c1-21-19-30(24-9-6-10-25(28-24)33-2)17-18-31(21)26(32)27-14-11-22-12-15-29(16-13-22)20-23-7-4-3-5-8-23/h3-10,21-22H,11-20H2,1-2H3,(H,27,32)/t21-/m1/s1
InChIKeyMYVBOWZFFQIHLC-OAQYLSRUSA-N
MW451.62 g/mol
LogP3.61
Rot. Bonds7

About (2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide

(2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide (PubChem CID 162370217) 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-(6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide
PubChem CID162370217
Molecular FormulaC26H37N5O2
Molecular Weight451.62 g/mol
Exact Mass451.29
IUPAC Name(2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)NCCC3CCN(Cc4ccccc4)CC3)[C@H](C)C2)n1
InChIInChI=1S/C26H37N5O2/c1-21-19-30(24-9-6-10-25(28-24)33-2)17-18-31(21)26(32)27-14-11-22-12-15-29(16-13-22)20-23-7-4-3-5-8-23/h3-10,21-22H,11-20H2,1-2H3,(H,27,32)/t21-/m1/s1
InChIKeyMYVBOWZFFQIHLC-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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of (2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide (CID 162370217) is (2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide is COc1cccc(N2CCN(C(=O)NCCC3CCN(Cc4ccccc4)CC3)[C@H](C)C2)n1.
What is the InChIKey of (2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide?
The InChIKey is MYVBOWZFFQIHLC-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H37N5O2/c1-21-19-30(24-9-6-10-25(28-24)33-2)17-18-31(21)26(32)27-14-11-22-12-15-29(16-13-22)20-23-7-4-3-5-8-23/h3-10,21-22H,11-20H2,1-2H3,(H,27,32)/t21-/m1/s1.
What are the key properties of (2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide?
(2R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(6-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-(6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 162370217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).