N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide

C28H32N4O2 — CID 134475020

IUPACN-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(C(=O)NCC2CCN(C)CC2)c1
InChIInChI=1S/C28H32N4O2/c1-20(31-28(34)24-8-6-22(7-9-24)23-10-14-29-15-11-23)25-4-3-5-26(18-25)27(33)30-19-21-12-16-32(2)17-13-21/h3-11,14-15,18,20-21H,12-13,16-17,19H2,1-2H3,(H,30,33)(H,31,34)/t20-/m1/s1
InChIKeyMYYSGVSIXMQABR-HXUWFJFHSA-N
MW456.59 g/mol
LogP4.31
Rot. Bonds7

About N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide

N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (PubChem CID 134475020) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
PubChem CID134475020
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(C(=O)NCC2CCN(C)CC2)c1
InChIInChI=1S/C28H32N4O2/c1-20(31-28(34)24-8-6-22(7-9-24)23-10-14-29-15-11-23)25-4-3-5-26(18-25)27(33)30-19-21-12-16-32(2)17-13-21/h3-11,14-15,18,20-21H,12-13,16-17,19H2,1-2H3,(H,30,33)(H,31,34)/t20-/m1/s1
InChIKeyMYYSGVSIXMQABR-HXUWFJFHSA-N
XLogP4.31
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (CID 134475020) is N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide is C[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1cccc(C(=O)NCC2CCN(C)CC2)c1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The InChIKey is MYYSGVSIXMQABR-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-20(31-28(34)24-8-6-22(7-9-24)23-10-14-29-15-11-23)25-4-3-5-26(18-25)27(33)30-19-21-12-16-32(2)17-13-21/h3-11,14-15,18,20-21H,12-13,16-17,19H2,1-2H3,(H,30,33)(H,31,34)/t20-/m1/s1.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide has a molecular weight of 456.59 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 134475020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).