N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-azaspiro[2.5]octane-5-carboxamide

C21H31N3O — CID 126785841

IUPACN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-azaspiro[2.5]octane-5-carboxamide
SMILESCc1ccccc1CN1CCC(NC(=O)N2CCCC3(CC3)C2)CC1
InChIInChI=1S/C21H31N3O/c1-17-5-2-3-6-18(17)15-23-13-7-19(8-14-23)22-20(25)24-12-4-9-21(16-24)10-11-21/h2-3,5-6,19H,4,7-16H2,1H3,(H,22,25)
InChIKeyFMOUJNFZNNMYSC-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.55
Rot. Bonds3

About N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-azaspiro[2.5]octane-5-carboxamide

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-azaspiro[2.5]octane-5-carboxamide (PubChem CID 126785841) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-azaspiro[2.5]octane-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-azaspiro[2.5]octane-5-carboxamide
PubChem CID126785841
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-azaspiro[2.5]octane-5-carboxamide
SMILESCc1ccccc1CN1CCC(NC(=O)N2CCCC3(CC3)C2)CC1
InChIInChI=1S/C21H31N3O/c1-17-5-2-3-6-18(17)15-23-13-7-19(8-14-23)22-20(25)24-12-4-9-21(16-24)10-11-21/h2-3,5-6,19H,4,7-16H2,1H3,(H,22,25)
InChIKeyFMOUJNFZNNMYSC-UHFFFAOYSA-N
XLogP3.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087773
5-methyl-1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122122094
4-(3-hydroxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide
CID 112835200
2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 87020158
2-(2,5-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 78901882
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide
CID 136577828
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 136577829
4-(4-acetyl-2-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide
CID 55796259
4-(methoxymethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 120641523
N-(cyclohexylcarbamoyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30649050
1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide
CID 54793639
1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide
CID 55911141

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-azaspiro[2.5]octane-5-carboxamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-azaspiro[2.5]octane-5-carboxamide (CID 126785841) is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-azaspiro[2.5]octane-5-carboxamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-azaspiro[2.5]octane-5-carboxamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-azaspiro[2.5]octane-5-carboxamide is Cc1ccccc1CN1CCC(NC(=O)N2CCCC3(CC3)C2)CC1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-azaspiro[2.5]octane-5-carboxamide?
The InChIKey is FMOUJNFZNNMYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-17-5-2-3-6-18(17)15-23-13-7-19(8-14-23)22-20(25)24-12-4-9-21(16-24)10-11-21/h2-3,5-6,19H,4,7-16H2,1H3,(H,22,25).
What are the key properties of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-azaspiro[2.5]octane-5-carboxamide?
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-azaspiro[2.5]octane-5-carboxamide has a molecular weight of 341.50 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-azaspiro[2.5]octane-5-carboxamide is sourced from PubChem (CID 126785841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).