5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide

C12H17ClN2O2 — CID 106627540

IUPAC5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide
SMILESCN(CC1CCCCN1)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C12H17ClN2O2/c1-15(8-9-4-2-3-7-14-9)12(16)10-5-6-11(13)17-10/h5-6,9,14H,2-4,7-8H2,1H3
InChIKeyWKICFEJFADLPQA-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.15
Rot. Bonds3

About 5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide

5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide (PubChem CID 106627540) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide
PubChem CID106627540
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide
SMILESCN(CC1CCCCN1)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C12H17ClN2O2/c1-15(8-9-4-2-3-7-14-9)12(16)10-5-6-11(13)17-10/h5-6,9,14H,2-4,7-8H2,1H3
InChIKeyWKICFEJFADLPQA-UHFFFAOYSA-N
XLogP2.15
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 106608722
5-bromo-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607717
N,5-diethyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide
CID 106625965
N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 106607339
3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607655
2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627453
3,5-dihydroxy-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107705334
2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid
CID 28790003
N-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide
CID 106627458
2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607476
2-(4-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)acetamide
CID 106627189
3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107956374

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide (CID 106627540) is 5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide is CN(CC1CCCCN1)C(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide?
The InChIKey is WKICFEJFADLPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-15(8-9-4-2-3-7-14-9)12(16)10-5-6-11(13)17-10/h5-6,9,14H,2-4,7-8H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide?
5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide has a molecular weight of 256.73 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 106627540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).