2-[4-(2-piperidin-4-yloxyacetyl)-1,4-diazepan-1-yl]acetic acid

C14H25N3O4 — CID 63876242

IUPAC2-[4-(2-piperidin-4-yloxyacetyl)-1,4-diazepan-1-yl]acetic acid
SMILESO=C(O)CN1CCCN(C(=O)COC2CCNCC2)CC1
InChIInChI=1S/C14H25N3O4/c18-13(11-21-12-2-4-15-5-3-12)17-7-1-6-16(8-9-17)10-14(19)20/h12,15H,1-11H2,(H,19,20)
InChIKeyTZTIJBPZMWBSCO-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.63
Rot. Bonds5

About 2-[4-(2-piperidin-4-yloxyacetyl)-1,4-diazepan-1-yl]acetic acid

2-[4-(2-piperidin-4-yloxyacetyl)-1,4-diazepan-1-yl]acetic acid (PubChem CID 63876242) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[4-(2-piperidin-4-yloxyacetyl)-1,4-diazepan-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-piperidin-4-yloxyacetyl)-1,4-diazepan-1-yl]acetic acid
PubChem CID63876242
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[4-(2-piperidin-4-yloxyacetyl)-1,4-diazepan-1-yl]acetic acid
SMILESO=C(O)CN1CCCN(C(=O)COC2CCNCC2)CC1
InChIInChI=1S/C14H25N3O4/c18-13(11-21-12-2-4-15-5-3-12)17-7-1-6-16(8-9-17)10-14(19)20/h12,15H,1-11H2,(H,19,20)
InChIKeyTZTIJBPZMWBSCO-UHFFFAOYSA-N
XLogP-0.63
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone
CID 62327566
2-cyclopentyloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119402733
N-ethyl-4-(2-piperidin-4-yloxyacetyl)piperazine-1-carboxamide
CID 63876904
1-(3,5-dimethylpiperidin-1-yl)-2-piperidin-4-yloxyethanone
CID 63875663
2-[4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 11036131
1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-4-yloxyethanone
CID 167883829
2-(1,5-diazocan-1-yl)acetic acid
CID 20839708
[1-(2-piperidin-4-yloxyacetyl)azetidin-3-yl] hypoiodite
CID 156798881
1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251949
2-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62825334
1-piperidin-1-yl-2-(1-pyrrolidin-3-ylpiperidin-4-yl)oxyethanone
CID 84816570
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-4-ylethanone
CID 107218250

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-piperidin-4-yloxyacetyl)-1,4-diazepan-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-piperidin-4-yloxyacetyl)-1,4-diazepan-1-yl]acetic acid (CID 63876242) is 2-[4-(2-piperidin-4-yloxyacetyl)-1,4-diazepan-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-piperidin-4-yloxyacetyl)-1,4-diazepan-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-piperidin-4-yloxyacetyl)-1,4-diazepan-1-yl]acetic acid is O=C(O)CN1CCCN(C(=O)COC2CCNCC2)CC1.
What is the InChIKey of 2-[4-(2-piperidin-4-yloxyacetyl)-1,4-diazepan-1-yl]acetic acid?
The InChIKey is TZTIJBPZMWBSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c18-13(11-21-12-2-4-15-5-3-12)17-7-1-6-16(8-9-17)10-14(19)20/h12,15H,1-11H2,(H,19,20).
What are the key properties of 2-[4-(2-piperidin-4-yloxyacetyl)-1,4-diazepan-1-yl]acetic acid?
2-[4-(2-piperidin-4-yloxyacetyl)-1,4-diazepan-1-yl]acetic acid has a molecular weight of 299.37 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-piperidin-4-yloxyacetyl)-1,4-diazepan-1-yl]acetic acid is sourced from PubChem (CID 63876242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).