N-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide

C21H27N3O2 — CID 3445666

IUPACN-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide
SMILESCc1ccc(CN2CC2C(=O)NC2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C21H27N3O2/c1-16-7-8-19(26-16)14-24-15-20(24)21(25)22-18-9-11-23(12-10-18)13-17-5-3-2-4-6-17/h2-8,18,20H,9-15H2,1H3,(H,22,25)
InChIKeyMWBNTYDKORWBHC-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.55
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide

N-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide (PubChem CID 3445666) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide
PubChem CID3445666
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide
SMILESCc1ccc(CN2CC2C(=O)NC2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C21H27N3O2/c1-16-7-8-19(26-16)14-24-15-20(24)21(25)22-18-9-11-23(12-10-18)13-17-5-3-2-4-6-17/h2-8,18,20H,9-15H2,1H3,(H,22,25)
InChIKeyMWBNTYDKORWBHC-UHFFFAOYSA-N
XLogP2.55
TPSA48.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide
CID 4677844
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
(2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95739460
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 24654457
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
CID 42780010
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
(1R,4S)-3-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 59351961

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide (CID 3445666) is N-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide is Cc1ccc(CN2CC2C(=O)NC2CCN(Cc3ccccc3)CC2)o1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide?
The InChIKey is MWBNTYDKORWBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-7-8-19(26-16)14-24-15-20(24)21(25)22-18-9-11-23(12-10-18)13-17-5-3-2-4-6-17/h2-8,18,20H,9-15H2,1H3,(H,22,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide is sourced from PubChem (CID 3445666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).