3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid

C14H25N3O4 — CID 61201618

IUPAC3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)N2CCCC(CO)C2)CC1
InChIInChI=1S/C14H25N3O4/c18-11-12-2-1-4-17(10-12)14(21)16-8-6-15(7-9-16)5-3-13(19)20/h12,18H,1-11H2,(H,19,20)
InChIKeyLYDMKSHORIRLQS-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.10
Rot. Bonds4

About 3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid

3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid (PubChem CID 61201618) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid
PubChem CID61201618
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)N2CCCC(CO)C2)CC1
InChIInChI=1S/C14H25N3O4/c18-11-12-2-1-4-17(10-12)14(21)16-8-6-15(7-9-16)5-3-13(19)20/h12,18H,1-11H2,(H,19,20)
InChIKeyLYDMKSHORIRLQS-UHFFFAOYSA-N
XLogP-0.10
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
3-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 115560854
4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 93204224
5-[3-(hydroxymethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 43590262
3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanoic acid
CID 61405185
(3S)-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid
CID 81125571
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79160343
2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434843
1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid
CID 63135979
2-[1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 112626827
3-(aziridin-1-yl)propanoic acid;1-methylpiperidin-3-ol
CID 21128423
3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 103536351

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid (CID 61201618) is 3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(C(=O)N2CCCC(CO)C2)CC1.
What is the InChIKey of 3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid?
The InChIKey is LYDMKSHORIRLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c18-11-12-2-1-4-17(10-12)14(21)16-8-6-15(7-9-16)5-3-13(19)20/h12,18H,1-11H2,(H,19,20).
What are the key properties of 3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid?
3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid has a molecular weight of 299.37 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 61201618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).