N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide

C14H22N4O2 — CID 109250092

IUPACN-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C14H22N4O2/c1-20-9-5-6-15-13(19)12-10-16-14(17-11-12)18-7-3-2-4-8-18/h10-11H,2-9H2,1H3,(H,15,19)
InChIKeyODNNUNYNGFKFNY-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.23
Rot. Bonds6

About N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide

N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 109250092) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
PubChem CID109250092
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C14H22N4O2/c1-20-9-5-6-15-13(19)12-10-16-14(17-11-12)18-7-3-2-4-8-18/h10-11H,2-9H2,1H3,(H,15,19)
InChIKeyODNNUNYNGFKFNY-UHFFFAOYSA-N
XLogP1.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959342
5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276095
2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246951
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250135
2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251731
2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251749
N-(3-methoxypropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204551
N-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103614
2-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide
CID 109254777
N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 651470
6-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153322
2-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256918

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide (CID 109250092) is N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide is COCCCNC(=O)c1cnc(N2CCCCC2)nc1.
What is the InChIKey of N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is ODNNUNYNGFKFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-20-9-5-6-15-13(19)12-10-16-14(17-11-12)18-7-3-2-4-8-18/h10-11H,2-9H2,1H3,(H,15,19).
What are the key properties of N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109250092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).