N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide

C16H22N4O2 — CID 131939771

IUPACN-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide
SMILESCc1ncc(CN2CCCC(CNC(=O)c3ccoc3)C2)[nH]1
InChIInChI=1S/C16H22N4O2/c1-12-17-8-15(19-12)10-20-5-2-3-13(9-20)7-18-16(21)14-4-6-22-11-14/h4,6,8,11,13H,2-3,5,7,9-10H2,1H3,(H,17,19)(H,18,21)
InChIKeyKQYITCKSQDKYFH-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.95
Rot. Bonds5

About N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide

N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide (PubChem CID 131939771) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide
PubChem CID131939771
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide
SMILESCc1ncc(CN2CCCC(CNC(=O)c3ccoc3)C2)[nH]1
InChIInChI=1S/C16H22N4O2/c1-12-17-8-15(19-12)10-20-5-2-3-13(9-20)7-18-16(21)14-4-6-22-11-14/h4,6,8,11,13H,2-3,5,7,9-10H2,1H3,(H,17,19)(H,18,21)
InChIKeyKQYITCKSQDKYFH-UHFFFAOYSA-N
XLogP1.95
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 95199898
N-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide
CID 131937285
2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 56711026
2-(4-fluorophenyl)-N-[[(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95199379
2-methoxy-N-[[(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95192212
N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]thiophene-3-carboxamide
CID 131893031
N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 56710034
N-[[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methyl]furan-3-carboxamide
CID 131912720
formic acid;N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]furan-3-carboxamide
CID 154912021
N-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 131929434
N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 42195132
N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 131893384

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide (CID 131939771) is N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide is Cc1ncc(CN2CCCC(CNC(=O)c3ccoc3)C2)[nH]1.
What is the InChIKey of N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide?
The InChIKey is KQYITCKSQDKYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-17-8-15(19-12)10-20-5-2-3-13(9-20)7-18-16(21)14-4-6-22-11-14/h4,6,8,11,13H,2-3,5,7,9-10H2,1H3,(H,17,19)(H,18,21).
What are the key properties of N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide?
N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 131939771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).