2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C18H21N5O — CID 75463124

IUPAC2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCC(n4ccnc4)CC3)nc12
InChIInChI=1S/C18H21N5O/c1-14-3-2-7-23-17(24)11-15(20-18(14)23)12-21-8-4-16(5-9-21)22-10-6-19-13-22/h2-3,6-7,10-11,13,16H,4-5,8-9,12H2,1H3
InChIKeyVXQGHMDCTRHVIT-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.04
Rot. Bonds3

About 2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 75463124) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID75463124
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCC(n4ccnc4)CC3)nc12
InChIInChI=1S/C18H21N5O/c1-14-3-2-7-23-17(24)11-15(20-18(14)23)12-21-8-4-16(5-9-21)22-10-6-19-13-22/h2-3,6-7,10-11,13,16H,4-5,8-9,12H2,1H3
InChIKeyVXQGHMDCTRHVIT-UHFFFAOYSA-N
XLogP2.04
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 62062893
2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115966901
2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119924132
9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 121385010
9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92861380
N,N-diethyl-4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1-sulfonamide
CID 43039536
2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 119925708
9-methyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 46631682
2-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 120760652
2-[[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 134697645
9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119916529
2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 71878633

Frequently Asked Questions

What is the IUPAC name of 2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 75463124) is 2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN3CCC(n4ccnc4)CC3)nc12.
What is the InChIKey of 2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VXQGHMDCTRHVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-14-3-2-7-23-17(24)11-15(20-18(14)23)12-21-8-4-16(5-9-21)22-10-6-19-13-22/h2-3,6-7,10-11,13,16H,4-5,8-9,12H2,1H3.
What are the key properties of 2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 323.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 75463124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).