N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide

C15H21FN4O — CID 91814073

IUPACN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCC1CCN(c2ncc(F)cn2)CC1)C1CCC1
InChIInChI=1S/C15H21FN4O/c16-13-9-18-15(19-10-13)20-6-4-11(5-7-20)8-17-14(21)12-2-1-3-12/h9-12H,1-8H2,(H,17,21)
InChIKeyKNVQINNHXHVAJM-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.75
Rot. Bonds4

About N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide

N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide (PubChem CID 91814073) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide
PubChem CID91814073
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCC1CCN(c2ncc(F)cn2)CC1)C1CCC1
InChIInChI=1S/C15H21FN4O/c16-13-9-18-15(19-10-13)20-6-4-11(5-7-20)8-17-14(21)12-2-1-3-12/h9-12H,1-8H2,(H,17,21)
InChIKeyKNVQINNHXHVAJM-UHFFFAOYSA-N
XLogP1.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanone
CID 172891059
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 91814118
1-(3,4-dichlorophenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea
CID 91814176
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 91814160
1-(2,3-dimethoxyphenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea
CID 91814174
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 91814099
fluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
CID 175026112
3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide
CID 91814088
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide
CID 171137023
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 121108857
4-chloro-1-(5-fluoropyrimidin-2-yl)azepane
CID 130671020

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide (CID 91814073) is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide is O=C(NCC1CCN(c2ncc(F)cn2)CC1)C1CCC1.
What is the InChIKey of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide?
The InChIKey is KNVQINNHXHVAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c16-13-9-18-15(19-10-13)20-6-4-11(5-7-20)8-17-14(21)12-2-1-3-12/h9-12H,1-8H2,(H,17,21).
What are the key properties of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide?
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 91814073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).