(4R)-N-butyl-4-hydroxy-1-(4-methylpiperazine-1-carbonyl)pyrrolidine-2-carboxamide

C15H28N4O3 — CID 154667437

IUPAC(4R)-N-butyl-4-hydroxy-1-(4-methylpiperazine-1-carbonyl)pyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1C[C@@H](O)CN1C(=O)N1CCN(C)CC1
InChIInChI=1S/C15H28N4O3/c1-3-4-5-16-14(21)13-10-12(20)11-19(13)15(22)18-8-6-17(2)7-9-18/h12-13,20H,3-11H2,1-2H3,(H,16,21)/t12-,13?/m1/s1
InChIKeyFSWPCZQNGDPUHC-PZORYLMUSA-N
MW312.41 g/mol
LogP-0.29
Rot. Bonds4

About (4R)-N-butyl-4-hydroxy-1-(4-methylpiperazine-1-carbonyl)pyrrolidine-2-carboxamide

(4R)-N-butyl-4-hydroxy-1-(4-methylpiperazine-1-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 154667437) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is (4R)-N-butyl-4-hydroxy-1-(4-methylpiperazine-1-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(4R)-N-butyl-4-hydroxy-1-(4-methylpiperazine-1-carbonyl)pyrrolidine-2-carboxamide
PubChem CID154667437
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Name(4R)-N-butyl-4-hydroxy-1-(4-methylpiperazine-1-carbonyl)pyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1C[C@@H](O)CN1C(=O)N1CCN(C)CC1
InChIInChI=1S/C15H28N4O3/c1-3-4-5-16-14(21)13-10-12(20)11-19(13)15(22)18-8-6-17(2)7-9-18/h12-13,20H,3-11H2,1-2H3,(H,16,21)/t12-,13?/m1/s1
InChIKeyFSWPCZQNGDPUHC-PZORYLMUSA-N
XLogP-0.29
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-N-dodecyl-4-hydroxy-1-tetradecanoylpyrrolidine-2-carboxamide
CID 11591557
(2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78999372
(2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 27339570
5-[[(2R)-4-hydroxy-1-[2-(pentanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 54523220
(2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843711
N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen
CID 144983646
2-(4-methylpiperazin-1-yl)-2-oxo-N-pentylacetamide
CID 108517060
N-butylaziridine-1-carboxamide
CID 55206947
4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide
CID 109147401
N-butyl-3-(4-methylpiperazin-1-yl)propanamide
CID 109012187
(2S,4R)-1-(4-acetyl-1,4-diazepane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842357
1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
CID 150722678

Frequently Asked Questions

What is the IUPAC name of (4R)-N-butyl-4-hydroxy-1-(4-methylpiperazine-1-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (4R)-N-butyl-4-hydroxy-1-(4-methylpiperazine-1-carbonyl)pyrrolidine-2-carboxamide (CID 154667437) is (4R)-N-butyl-4-hydroxy-1-(4-methylpiperazine-1-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (4R)-N-butyl-4-hydroxy-1-(4-methylpiperazine-1-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (4R)-N-butyl-4-hydroxy-1-(4-methylpiperazine-1-carbonyl)pyrrolidine-2-carboxamide is CCCCNC(=O)C1C[C@@H](O)CN1C(=O)N1CCN(C)CC1.
What is the InChIKey of (4R)-N-butyl-4-hydroxy-1-(4-methylpiperazine-1-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is FSWPCZQNGDPUHC-PZORYLMUSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-3-4-5-16-14(21)13-10-12(20)11-19(13)15(22)18-8-6-17(2)7-9-18/h12-13,20H,3-11H2,1-2H3,(H,16,21)/t12-,13?/m1/s1.
What are the key properties of (4R)-N-butyl-4-hydroxy-1-(4-methylpiperazine-1-carbonyl)pyrrolidine-2-carboxamide?
(4R)-N-butyl-4-hydroxy-1-(4-methylpiperazine-1-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 312.41 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-butyl-4-hydroxy-1-(4-methylpiperazine-1-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 154667437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).