2-chloro-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-5-piperidin-1-ylbenzamide

C18H21ClN4O2 — CID 137303331

IUPAC2-chloro-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-5-piperidin-1-ylbenzamide
SMILESCc1nc(CNC(=O)c2cc(N3CCCCC3)ccc2Cl)cc(=O)[nH]1
InChIInChI=1S/C18H21ClN4O2/c1-12-21-13(9-17(24)22-12)11-20-18(25)15-10-14(5-6-16(15)19)23-7-3-2-4-8-23/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyFQIDEFFILNFTMH-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.65
Rot. Bonds4

About 2-chloro-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-5-piperidin-1-ylbenzamide

2-chloro-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-5-piperidin-1-ylbenzamide (PubChem CID 137303331) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 2-chloro-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-5-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-5-piperidin-1-ylbenzamide
PubChem CID137303331
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name2-chloro-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-5-piperidin-1-ylbenzamide
SMILESCc1nc(CNC(=O)c2cc(N3CCCCC3)ccc2Cl)cc(=O)[nH]1
InChIInChI=1S/C18H21ClN4O2/c1-12-21-13(9-17(24)22-12)11-20-18(25)15-10-14(5-6-16(15)19)23-7-3-2-4-8-23/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyFQIDEFFILNFTMH-UHFFFAOYSA-N
XLogP2.65
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-5-piperidin-1-ylbenzamide?
The IUPAC name of 2-chloro-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-5-piperidin-1-ylbenzamide (CID 137303331) is 2-chloro-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-5-piperidin-1-ylbenzamide.
What is the SMILES notation for 2-chloro-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-5-piperidin-1-ylbenzamide?
The canonical SMILES for 2-chloro-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-5-piperidin-1-ylbenzamide is Cc1nc(CNC(=O)c2cc(N3CCCCC3)ccc2Cl)cc(=O)[nH]1.
What is the InChIKey of 2-chloro-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-5-piperidin-1-ylbenzamide?
The InChIKey is FQIDEFFILNFTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-12-21-13(9-17(24)22-12)11-20-18(25)15-10-14(5-6-16(15)19)23-7-3-2-4-8-23/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,20,25)(H,21,22,24).
What are the key properties of 2-chloro-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-5-piperidin-1-ylbenzamide?
2-chloro-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-5-piperidin-1-ylbenzamide has a molecular weight of 360.85 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-5-piperidin-1-ylbenzamide is sourced from PubChem (CID 137303331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).