1-[2-methyl-5-[4-[(3R)-oxolan-3-yl]piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone

C19H29N3O3 — CID 97028010

IUPAC1-[2-methyl-5-[4-[(3R)-oxolan-3-yl]piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone
SMILESCCCc1c(C(=O)N2CCN([C@@H]3CCOC3)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C19H29N3O3/c1-4-5-16-17(14(3)23)13(2)20-18(16)19(24)22-9-7-21(8-10-22)15-6-11-25-12-15/h15,20H,4-12H2,1-3H3/t15-/m1/s1
InChIKeyRKXGLVFKDZRPGV-OAHLLOKOSA-N
MW347.46 g/mol
LogP2.02
Rot. Bonds5

About 1-[2-methyl-5-[4-[(3R)-oxolan-3-yl]piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone

1-[2-methyl-5-[4-[(3R)-oxolan-3-yl]piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone (PubChem CID 97028010) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[2-methyl-5-[4-[(3R)-oxolan-3-yl]piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-5-[4-[(3R)-oxolan-3-yl]piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone
PubChem CID97028010
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[2-methyl-5-[4-[(3R)-oxolan-3-yl]piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone
SMILESCCCc1c(C(=O)N2CCN([C@@H]3CCOC3)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C19H29N3O3/c1-4-5-16-17(14(3)23)13(2)20-18(16)19(24)22-9-7-21(8-10-22)15-6-11-25-12-15/h15,20H,4-12H2,1-3H3/t15-/m1/s1
InChIKeyRKXGLVFKDZRPGV-OAHLLOKOSA-N
XLogP2.02
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-[4-[(3R)-oxolan-3-yl]piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[2-methyl-5-[4-[(3R)-oxolan-3-yl]piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone (CID 97028010) is 1-[2-methyl-5-[4-[(3R)-oxolan-3-yl]piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-5-[4-[(3R)-oxolan-3-yl]piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[2-methyl-5-[4-[(3R)-oxolan-3-yl]piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone is CCCc1c(C(=O)N2CCN([C@@H]3CCOC3)CC2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 1-[2-methyl-5-[4-[(3R)-oxolan-3-yl]piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone?
The InChIKey is RKXGLVFKDZRPGV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-5-16-17(14(3)23)13(2)20-18(16)19(24)22-9-7-21(8-10-22)15-6-11-25-12-15/h15,20H,4-12H2,1-3H3/t15-/m1/s1.
What are the key properties of 1-[2-methyl-5-[4-[(3R)-oxolan-3-yl]piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone?
1-[2-methyl-5-[4-[(3R)-oxolan-3-yl]piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone has a molecular weight of 347.46 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-[4-[(3R)-oxolan-3-yl]piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 97028010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).