(2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide

C18H24N4O2 — CID 124942544

IUPAC(2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide
SMILESCN1CCN(C(=O)CCCc2c[nH]c3ccccc23)[C@@H](C(N)=O)C1
InChIInChI=1S/C18H24N4O2/c1-21-9-10-22(16(12-21)18(19)24)17(23)8-4-5-13-11-20-15-7-3-2-6-14(13)15/h2-3,6-7,11,16,20H,4-5,8-10,12H2,1H3,(H2,19,24)/t16-/m1/s1
InChIKeyAVYXKXQVWMFYPE-MRXNPFEDSA-N
MW328.42 g/mol
LogP1.12
Rot. Bonds5

About (2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide

(2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide (PubChem CID 124942544) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide
PubChem CID124942544
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide
SMILESCN1CCN(C(=O)CCCc2c[nH]c3ccccc23)[C@@H](C(N)=O)C1
InChIInChI=1S/C18H24N4O2/c1-21-9-10-22(16(12-21)18(19)24)17(23)8-4-5-13-11-20-15-7-3-2-6-14(13)15/h2-3,6-7,11,16,20H,4-5,8-10,12H2,1H3,(H2,19,24)/t16-/m1/s1
InChIKeyAVYXKXQVWMFYPE-MRXNPFEDSA-N
XLogP1.12
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2,4-dimethylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 97093757
1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide
CID 155982994
4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide
CID 110086516
1-[(3S)-3-aminopyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 94075010
4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103536932
4-(1H-indol-3-yl)butanamide
CID 588715
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
4-[4-(1H-indol-3-yl)butanoyl]-N,N,1-trimethylpiperazine-2-carboxamide
CID 110086524
4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one
CID 56911441
ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate
CID 35512444
(2R,3S)-4-[4-(1H-indol-3-yl)butanoyl]-N,N,2,3-tetramethylpiperazine-1-sulfonamide
CID 169416860
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide?
The IUPAC name of (2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide (CID 124942544) is (2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide is CN1CCN(C(=O)CCCc2c[nH]c3ccccc23)[C@@H](C(N)=O)C1.
What is the InChIKey of (2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide?
The InChIKey is AVYXKXQVWMFYPE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21-9-10-22(16(12-21)18(19)24)17(23)8-4-5-13-11-20-15-7-3-2-6-14(13)15/h2-3,6-7,11,16,20H,4-5,8-10,12H2,1H3,(H2,19,24)/t16-/m1/s1.
What are the key properties of (2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide?
(2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(1H-indol-3-yl)butanoyl]-4-methylpiperazine-2-carboxamide is sourced from PubChem (CID 124942544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).