N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide

C16H26N2O2 — CID 63130099

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)Cc2ccc(C)o2)CCCNC1
InChIInChI=1S/C16H26N2O2/c1-4-8-16(9-5-10-17-12-16)15(19)18(3)11-14-7-6-13(2)20-14/h6-7,17H,4-5,8-12H2,1-3H3
InChIKeyCLOMNIQSQBLZII-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.72
Rot. Bonds5

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide (PubChem CID 63130099) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide
PubChem CID63130099
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)Cc2ccc(C)o2)CCCNC1
InChIInChI=1S/C16H26N2O2/c1-4-8-16(9-5-10-17-12-16)15(19)18(3)11-14-7-6-13(2)20-14/h6-7,17H,4-5,8-12H2,1-3H3
InChIKeyCLOMNIQSQBLZII-UHFFFAOYSA-N
XLogP2.72
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 55165654
N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide
CID 63130856
N-methyl-3-propyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 63130322
1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide
CID 81179940
3-ethyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 55167016
N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide
CID 63130855
N-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63143991
N-methyl-N-propan-2-yl-3-propylpiperidine-3-carboxamide
CID 63132392
N-methoxy-N-methyl-3-propylpiperidine-3-carboxamide
CID 63135339
N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide
CID 106974664
N-(2-ethoxyethyl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 81059050
(4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569714

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide (CID 63130099) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)N(C)Cc2ccc(C)o2)CCCNC1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide?
The InChIKey is CLOMNIQSQBLZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-8-16(9-5-10-17-12-16)15(19)18(3)11-14-7-6-13(2)20-14/h6-7,17H,4-5,8-12H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 63130099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).