N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]bicyclo[4.1.0]heptane-2-carboxamide

C20H30N4O — CID 155964549

IUPACN-[2-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]bicyclo[4.1.0]heptane-2-carboxamide
SMILESCc1ccnc(N2CCCC(CCNC(=O)C3CCCC4CC43)C2)n1
InChIInChI=1S/C20H30N4O/c1-14-7-9-22-20(23-14)24-11-3-4-15(13-24)8-10-21-19(25)17-6-2-5-16-12-18(16)17/h7,9,15-18H,2-6,8,10-13H2,1H3,(H,21,25)
InChIKeyDHDYFZMPZFYOPY-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.94
Rot. Bonds5

About N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]bicyclo[4.1.0]heptane-2-carboxamide

N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]bicyclo[4.1.0]heptane-2-carboxamide (PubChem CID 155964549) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]bicyclo[4.1.0]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]bicyclo[4.1.0]heptane-2-carboxamide
PubChem CID155964549
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-[2-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]bicyclo[4.1.0]heptane-2-carboxamide
SMILESCc1ccnc(N2CCCC(CCNC(=O)C3CCCC4CC43)C2)n1
InChIInChI=1S/C20H30N4O/c1-14-7-9-22-20(23-14)24-11-3-4-15(13-24)8-10-21-19(25)17-6-2-5-16-12-18(16)17/h7,9,15-18H,2-6,8,10-13H2,1H3,(H,21,25)
InChIKeyDHDYFZMPZFYOPY-UHFFFAOYSA-N
XLogP2.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]bicyclo[4.1.0]heptane-2-carboxamide with MolForge

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Related Compounds

N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 62958741
2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 115657972
2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine
CID 133310053
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 90654569
N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223399
(3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452670
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53035331
1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea
CID 166606087
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223397
N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223383

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]bicyclo[4.1.0]heptane-2-carboxamide?
The IUPAC name of N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]bicyclo[4.1.0]heptane-2-carboxamide (CID 155964549) is N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]bicyclo[4.1.0]heptane-2-carboxamide.
What is the SMILES notation for N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]bicyclo[4.1.0]heptane-2-carboxamide?
The canonical SMILES for N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]bicyclo[4.1.0]heptane-2-carboxamide is Cc1ccnc(N2CCCC(CCNC(=O)C3CCCC4CC43)C2)n1.
What is the InChIKey of N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]bicyclo[4.1.0]heptane-2-carboxamide?
The InChIKey is DHDYFZMPZFYOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-14-7-9-22-20(23-14)24-11-3-4-15(13-24)8-10-21-19(25)17-6-2-5-16-12-18(16)17/h7,9,15-18H,2-6,8,10-13H2,1H3,(H,21,25).
What are the key properties of N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]bicyclo[4.1.0]heptane-2-carboxamide?
N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]bicyclo[4.1.0]heptane-2-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]bicyclo[4.1.0]heptane-2-carboxamide is sourced from PubChem (CID 155964549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).