(2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide

C18H28N4O — CID 122081644

IUPAC(2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCN(CCN1CCN(c2ccccc2)CC1)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C18H28N4O/c1-20(18(23)17-8-5-9-19-17)10-11-21-12-14-22(15-13-21)16-6-3-2-4-7-16/h2-4,6-7,17,19H,5,8-15H2,1H3/t17-/m0/s1
InChIKeyKUNIUAAMFFAJHG-KRWDZBQOSA-N
MW316.45 g/mol
LogP1.02
Rot. Bonds5

About (2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide

(2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 122081644) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID122081644
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCN(CCN1CCN(c2ccccc2)CC1)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C18H28N4O/c1-20(18(23)17-8-5-9-19-17)10-11-21-12-14-22(15-13-21)16-6-3-2-4-7-16/h2-4,6-7,17,19H,5,8-15H2,1H3/t17-/m0/s1
InChIKeyKUNIUAAMFFAJHG-KRWDZBQOSA-N
XLogP1.02
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide (CID 122081644) is (2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide is CN(CCN1CCN(c2ccccc2)CC1)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is KUNIUAAMFFAJHG-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N4O/c1-20(18(23)17-8-5-9-19-17)10-11-21-12-14-22(15-13-21)16-6-3-2-4-7-16/h2-4,6-7,17,19H,5,8-15H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide?
(2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122081644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).