N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide

C15H23N5O3 — CID 31895955

IUPACN-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccnc(N2CCC(C(=O)NCCNC(C)=O)CC2)n1
InChIInChI=1S/C15H23N5O3/c1-11(21)16-7-8-17-14(22)12-4-9-20(10-5-12)15-18-6-3-13(19-15)23-2/h3,6,12H,4-5,7-10H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyLUSARCITAQNTIM-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.05
Rot. Bonds6

About N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide

N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 31895955) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID31895955
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC NameN-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccnc(N2CCC(C(=O)NCCNC(C)=O)CC2)n1
InChIInChI=1S/C15H23N5O3/c1-11(21)16-7-8-17-14(22)12-4-9-20(10-5-12)15-18-6-3-13(19-15)23-2/h3,6,12H,4-5,7-10H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyLUSARCITAQNTIM-UHFFFAOYSA-N
XLogP-0.05
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 167931722
N-[2-(1H-imidazol-2-yl)ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 126774946
1-(4-methoxypyrimidin-2-yl)-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120830016
1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 78852537
N-[[4-fluoro-1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432135
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556
1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 78892410
1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 78890379
1-(4-methoxypyrimidin-2-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]piperidine-4-carboxamide
CID 87032452
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62591605
(2S)-1-[1-(4-methoxypyrimidin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 125147498
N-(2-methoxyethyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 43817666

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide (CID 31895955) is N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide is COc1ccnc(N2CCC(C(=O)NCCNC(C)=O)CC2)n1.
What is the InChIKey of N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is LUSARCITAQNTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-11(21)16-7-8-17-14(22)12-4-9-20(10-5-12)15-18-6-3-13(19-15)23-2/h3,6,12H,4-5,7-10H2,1-2H3,(H,16,21)(H,17,22).
What are the key properties of N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide?
N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 31895955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).