7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid

C13H25N3O3 — CID 61158723

IUPAC7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)CN1CCNCC1
InChIInChI=1S/C13H25N3O3/c17-12(11-16-9-7-14-8-10-16)15-6-4-2-1-3-5-13(18)19/h14H,1-11H2,(H,15,17)(H,18,19)
InChIKeyOBUUVUMVTCCCSE-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.04
Rot. Bonds9

About 7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid

7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid (PubChem CID 61158723) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid
PubChem CID61158723
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)CN1CCNCC1
InChIInChI=1S/C13H25N3O3/c17-12(11-16-9-7-14-8-10-16)15-6-4-2-1-3-5-13(18)19/h14H,1-11H2,(H,15,17)(H,18,19)
InChIKeyOBUUVUMVTCCCSE-UHFFFAOYSA-N
XLogP0.04
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-[4,7,10-tris[2-(5-carboxypentylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]hexanoic acid
CID 122205584
5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide
CID 106235926
2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide
CID 107317788
6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
CID 79327645
2-[4-[2-[(6-amino-6-oxohexyl)amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 134493029
6-piperazin-1-ylhexanoic acid
CID 54010280
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide
CID 62839599
2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid
CID 79457584
N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide
CID 79401234
4-(2-piperazin-1-ylethylcarbamoylamino)butanoic acid
CID 61408408
2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid
CID 107836104
5-piperazin-1-ylpentylcarbamic acid
CID 166666960

Frequently Asked Questions

What is the IUPAC name of 7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid?
The IUPAC name of 7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid (CID 61158723) is 7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid?
The canonical SMILES for 7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid is O=C(O)CCCCCCNC(=O)CN1CCNCC1.
What is the InChIKey of 7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid?
The InChIKey is OBUUVUMVTCCCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c17-12(11-16-9-7-14-8-10-16)15-6-4-2-1-3-5-13(18)19/h14H,1-11H2,(H,15,17)(H,18,19).
What are the key properties of 7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid?
7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.04, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid is sourced from PubChem (CID 61158723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).