(2R)-N-methyl-4-[4-(N-methylanilino)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide

C20H32N4O2 — CID 124948534

IUPAC(2R)-N-methyl-4-[4-(N-methylanilino)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)CCCN(C)c2ccccc2)CCN1C(C)C
InChIInChI=1S/C20H32N4O2/c1-16(2)24-14-13-23(15-18(24)20(26)21-3)19(25)11-8-12-22(4)17-9-6-5-7-10-17/h5-7,9-10,16,18H,8,11-15H2,1-4H3,(H,21,26)/t18-/m1/s1
InChIKeyCNPHCCZWUPDTQS-GOSISDBHSA-N
MW360.50 g/mol
LogP1.57
Rot. Bonds7

About (2R)-N-methyl-4-[4-(N-methylanilino)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide

(2R)-N-methyl-4-[4-(N-methylanilino)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide (PubChem CID 124948534) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is (2R)-N-methyl-4-[4-(N-methylanilino)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-4-[4-(N-methylanilino)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide
PubChem CID124948534
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name(2R)-N-methyl-4-[4-(N-methylanilino)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)CCCN(C)c2ccccc2)CCN1C(C)C
InChIInChI=1S/C20H32N4O2/c1-16(2)24-14-13-23(15-18(24)20(26)21-3)19(25)11-8-12-22(4)17-9-6-5-7-10-17/h5-7,9-10,16,18H,8,11-15H2,1-4H3,(H,21,26)/t18-/m1/s1
InChIKeyCNPHCCZWUPDTQS-GOSISDBHSA-N
XLogP1.57
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-4-[4-(N-methylanilino)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-4-[4-(N-methylanilino)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide (CID 124948534) is (2R)-N-methyl-4-[4-(N-methylanilino)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-4-[4-(N-methylanilino)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-4-[4-(N-methylanilino)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide is CNC(=O)[C@H]1CN(C(=O)CCCN(C)c2ccccc2)CCN1C(C)C.
What is the InChIKey of (2R)-N-methyl-4-[4-(N-methylanilino)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is CNPHCCZWUPDTQS-GOSISDBHSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-16(2)24-14-13-23(15-18(24)20(26)21-3)19(25)11-8-12-22(4)17-9-6-5-7-10-17/h5-7,9-10,16,18H,8,11-15H2,1-4H3,(H,21,26)/t18-/m1/s1.
What are the key properties of (2R)-N-methyl-4-[4-(N-methylanilino)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide?
(2R)-N-methyl-4-[4-(N-methylanilino)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-4-[4-(N-methylanilino)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 124948534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).