N-[3-fluoro-1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-4-methyl-3-propan-2-ylpentanamide

C19H30FN3O2 — CID 166374076

IUPACN-[3-fluoro-1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-4-methyl-3-propan-2-ylpentanamide
SMILESCC(C)C(CC(=O)NC1CCN(C(=O)c2cc[nH]c2)CC1F)C(C)C
InChIInChI=1S/C19H30FN3O2/c1-12(2)15(13(3)4)9-18(24)22-17-6-8-23(11-16(17)20)19(25)14-5-7-21-10-14/h5,7,10,12-13,15-17,21H,6,8-9,11H2,1-4H3,(H,22,24)
InChIKeyCBNLDXKUHHETJG-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.00
Rot. Bonds6

About N-[3-fluoro-1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-4-methyl-3-propan-2-ylpentanamide

N-[3-fluoro-1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-4-methyl-3-propan-2-ylpentanamide (PubChem CID 166374076) has the molecular formula C19H30FN3O2 and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[3-fluoro-1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-4-methyl-3-propan-2-ylpentanamide.

Molecular Properties

Compound NameN-[3-fluoro-1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-4-methyl-3-propan-2-ylpentanamide
PubChem CID166374076
Molecular FormulaC19H30FN3O2
Molecular Weight351.47 g/mol
Exact Mass351.23
IUPAC NameN-[3-fluoro-1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-4-methyl-3-propan-2-ylpentanamide
SMILESCC(C)C(CC(=O)NC1CCN(C(=O)c2cc[nH]c2)CC1F)C(C)C
InChIInChI=1S/C19H30FN3O2/c1-12(2)15(13(3)4)9-18(24)22-17-6-8-23(11-16(17)20)19(25)14-5-7-21-10-14/h5,7,10,12-13,15-17,21H,6,8-9,11H2,1-4H3,(H,22,24)
InChIKeyCBNLDXKUHHETJG-UHFFFAOYSA-N
XLogP3.00
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-4-methyl-3-propan-2-ylpentanamide?
The IUPAC name of N-[3-fluoro-1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-4-methyl-3-propan-2-ylpentanamide (CID 166374076) is N-[3-fluoro-1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-4-methyl-3-propan-2-ylpentanamide.
What is the SMILES notation for N-[3-fluoro-1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-4-methyl-3-propan-2-ylpentanamide?
The canonical SMILES for N-[3-fluoro-1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-4-methyl-3-propan-2-ylpentanamide is CC(C)C(CC(=O)NC1CCN(C(=O)c2cc[nH]c2)CC1F)C(C)C.
What is the InChIKey of N-[3-fluoro-1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-4-methyl-3-propan-2-ylpentanamide?
The InChIKey is CBNLDXKUHHETJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O2/c1-12(2)15(13(3)4)9-18(24)22-17-6-8-23(11-16(17)20)19(25)14-5-7-21-10-14/h5,7,10,12-13,15-17,21H,6,8-9,11H2,1-4H3,(H,22,24).
What are the key properties of N-[3-fluoro-1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-4-methyl-3-propan-2-ylpentanamide?
N-[3-fluoro-1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-4-methyl-3-propan-2-ylpentanamide has a molecular weight of 351.47 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-4-methyl-3-propan-2-ylpentanamide is sourced from PubChem (CID 166374076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).