1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide

C12H24N4O2 — CID 65449436

IUPAC1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1CC(O)CN1CCNCC1
InChIInChI=1S/C12H24N4O2/c13-12(18)11-2-1-5-16(11)9-10(17)8-15-6-3-14-4-7-15/h10-11,14,17H,1-9H2,(H2,13,18)
InChIKeyGIUIISBQFXPMGI-UHFFFAOYSA-N
MW256.35 g/mol
LogP-1.80
Rot. Bonds5

About 1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide

1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide (PubChem CID 65449436) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide
PubChem CID65449436
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1CC(O)CN1CCNCC1
InChIInChI=1S/C12H24N4O2/c13-12(18)11-2-1-5-16(11)9-10(17)8-15-6-3-14-4-7-15/h10-11,14,17H,1-9H2,(H2,13,18)
InChIKeyGIUIISBQFXPMGI-UHFFFAOYSA-N
XLogP-1.80
TPSA81.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate
CID 82775121
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperazin-1-ylpropan-2-ol
CID 65447936
1-(2-oxoethyl)pyrrolidine-2-carboxamide
CID 62051378
(2S)-1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidine-2-carboxamide
CID 10298578
1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-2-carboxamide;hydrochloride
CID 120980433
(2S)-1-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 124735118
1-[2-hydroxy-3-(4-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 110882119
(2R)-1-(2-aminoethyl)pyrrolidine-2-carboxamide
CID 28822969
1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide
CID 106933554
1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 75402215
tert-butyl (2S)-1-(2,3-dihydroxypropyl)pyrrolidine-2-carboxylate
CID 82844513
1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 65448874

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide (CID 65449436) is 1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1CC(O)CN1CCNCC1.
What is the InChIKey of 1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is GIUIISBQFXPMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c13-12(18)11-2-1-5-16(11)9-10(17)8-15-6-3-14-4-7-15/h10-11,14,17H,1-9H2,(H2,13,18).
What are the key properties of 1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide?
1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 256.35 g/mol, XLogP of -1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 65449436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).