2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide

C22H29N5O3 — CID 92640390

IUPAC2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(C2CCN(CCC(N)=O)CC2)nc1C
InChIInChI=1S/C22H29N5O3/c1-15-18(22(29)25-13-17-5-3-4-6-19(17)30-2)14-24-21(26-15)16-7-10-27(11-8-16)12-9-20(23)28/h3-6,14,16H,7-13H2,1-2H3,(H2,23,28)(H,25,29)
InChIKeyOBFJOANDCOGVCX-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.78
Rot. Bonds8

About 2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide

2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 92640390) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
PubChem CID92640390
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(C2CCN(CCC(N)=O)CC2)nc1C
InChIInChI=1S/C22H29N5O3/c1-15-18(22(29)25-13-17-5-3-4-6-19(17)30-2)14-24-21(26-15)16-7-10-27(11-8-16)12-9-20(23)28/h3-6,14,16H,7-13H2,1-2H3,(H2,23,28)(H,25,29)
InChIKeyOBFJOANDCOGVCX-UHFFFAOYSA-N
XLogP1.78
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 92640366
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 125004401
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 110247517
2-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 175659966
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 110247512
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 95805899
N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 83287729
N-[(4-fluorophenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247738
N-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
CID 92639521
N-(2-methoxyphenyl)-4-methyl-2-(1-propanoylpiperidin-4-yl)pyrimidine-5-carboxamide
CID 110084783
N-[(3-methoxyphenyl)methyl]-2-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 129361149
4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 92636450

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide (CID 92640390) is 2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide is COc1ccccc1CNC(=O)c1cnc(C2CCN(CCC(N)=O)CC2)nc1C.
What is the InChIKey of 2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is OBFJOANDCOGVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-15-18(22(29)25-13-17-5-3-4-6-19(17)30-2)14-24-21(26-15)16-7-10-27(11-8-16)12-9-20(23)28/h3-6,14,16H,7-13H2,1-2H3,(H2,23,28)(H,25,29).
What are the key properties of 2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide?
2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 92640390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).