2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid

C14H25N3O4 — CID 62310904

IUPAC2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)N2CCC(CO)CC2)CC1
InChIInChI=1S/C14H25N3O4/c1-11(13(19)20)15-6-8-17(9-7-15)14(21)16-4-2-12(10-18)3-5-16/h11-12,18H,2-10H2,1H3,(H,19,20)
InChIKeyBRPGUASNVXUBGH-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.10
Rot. Bonds3

About 2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid

2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid (PubChem CID 62310904) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid
PubChem CID62310904
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)N2CCC(CO)CC2)CC1
InChIInChI=1S/C14H25N3O4/c1-11(13(19)20)15-6-8-17(9-7-15)14(21)16-4-2-12(10-18)3-5-16/h11-12,18H,2-10H2,1H3,(H,19,20)
InChIKeyBRPGUASNVXUBGH-UHFFFAOYSA-N
XLogP-0.10
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid
CID 62310100
2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid
CID 83040756
(4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone
CID 176984609
(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 166021048
2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 60769000
(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 90447182
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid
CID 62317248
2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanoic acid
CID 83147517
2-[4-[2-hydroxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62309701
2-[4-(1-cyclopropylethyl)piperazin-1-yl]propanoic acid
CID 65062404
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid
CID 94396893

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid (CID 62310904) is 2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)N2CCC(CO)CC2)CC1.
What is the InChIKey of 2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid?
The InChIKey is BRPGUASNVXUBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-11(13(19)20)15-6-8-17(9-7-15)14(21)16-4-2-12(10-18)3-5-16/h11-12,18H,2-10H2,1H3,(H,19,20).
What are the key properties of 2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid?
2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid has a molecular weight of 299.37 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62310904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).