N-methyl-3-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-(1-methylpiperidin-4-yl)propanamide

C18H27N3O3 — CID 97359753

IUPACN-methyl-3-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1ccc(/C=C\C(=O)NCCC(=O)N(C)C2CCN(C)CC2)o1
InChIInChI=1S/C18H27N3O3/c1-14-4-5-16(24-14)6-7-17(22)19-11-8-18(23)21(3)15-9-12-20(2)13-10-15/h4-7,15H,8-13H2,1-3H3,(H,19,22)/b7-6-
InChIKeyBWSKUYLUBLYWMH-SREVYHEPSA-N
MW333.43 g/mol
LogP1.66
Rot. Bonds6

About N-methyl-3-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-(1-methylpiperidin-4-yl)propanamide

N-methyl-3-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 97359753) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-methyl-3-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID97359753
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-methyl-3-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1ccc(/C=C\C(=O)NCCC(=O)N(C)C2CCN(C)CC2)o1
InChIInChI=1S/C18H27N3O3/c1-14-4-5-16(24-14)6-7-17(22)19-11-8-18(23)21(3)15-9-12-20(2)13-10-15/h4-7,15H,8-13H2,1-3H3,(H,19,22)/b7-6-
InChIKeyBWSKUYLUBLYWMH-SREVYHEPSA-N
XLogP1.66
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of N-methyl-3-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-(1-methylpiperidin-4-yl)propanamide (CID 97359753) is N-methyl-3-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-methyl-3-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for N-methyl-3-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-(1-methylpiperidin-4-yl)propanamide is Cc1ccc(/C=C\C(=O)NCCC(=O)N(C)C2CCN(C)CC2)o1.
What is the InChIKey of N-methyl-3-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is BWSKUYLUBLYWMH-SREVYHEPSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-14-4-5-16(24-14)6-7-17(22)19-11-8-18(23)21(3)15-9-12-20(2)13-10-15/h4-7,15H,8-13H2,1-3H3,(H,19,22)/b7-6-.
What are the key properties of N-methyl-3-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-(1-methylpiperidin-4-yl)propanamide?
N-methyl-3-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 333.43 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[(Z)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 97359753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).