N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

C22H33N5O2 — CID 138038376

IUPACN-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESO=C(CCNC(=O)N1CCC(N2CCCC2)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H33N5O2/c28-21(26-16-14-25(15-17-26)19-6-2-1-3-7-19)8-10-23-22(29)27-13-9-20(18-27)24-11-4-5-12-24/h1-3,6-7,20H,4-5,8-18H2,(H,23,29)
InChIKeyHUCVYABXMMWGQP-UHFFFAOYSA-N
MW399.54 g/mol
LogP1.61
Rot. Bonds5

About N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (PubChem CID 138038376) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
PubChem CID138038376
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC NameN-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESO=C(CCNC(=O)N1CCC(N2CCCC2)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H33N5O2/c28-21(26-16-14-25(15-17-26)19-6-2-1-3-7-19)8-10-23-22(29)27-13-9-20(18-27)24-11-4-5-12-24/h1-3,6-7,20H,4-5,8-18H2,(H,23,29)
InChIKeyHUCVYABXMMWGQP-UHFFFAOYSA-N
XLogP1.61
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide with MolForge

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Related Compounds

N-ethyl-3-morpholin-4-yl-N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111728740
[2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea
CID 95725452
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
CID 119870654
ethyl 2-[[(3R)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate
CID 42533742
ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate
CID 42533744
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111918613
1-amino-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119870682
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 60608501
3-methoxy-1-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one
CID 26405812
N-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4-phenoxybenzamide
CID 126577362
1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 28957439
3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 62831183

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (CID 138038376) is N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is O=C(CCNC(=O)N1CCC(N2CCCC2)C1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The InChIKey is HUCVYABXMMWGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c28-21(26-16-14-25(15-17-26)19-6-2-1-3-7-19)8-10-23-22(29)27-13-9-20(18-27)24-11-4-5-12-24/h1-3,6-7,20H,4-5,8-18H2,(H,23,29).
What are the key properties of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 138038376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).