2-[1-(3-piperidin-4-yloxypropanoylamino)cyclopentyl]acetic acid

C15H26N2O4 — CID 64702108

IUPAC2-[1-(3-piperidin-4-yloxypropanoylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCOC2CCNCC2)CCCC1
InChIInChI=1S/C15H26N2O4/c18-13(5-10-21-12-3-8-16-9-4-12)17-15(11-14(19)20)6-1-2-7-15/h12,16H,1-11H2,(H,17,18)(H,19,20)
InChIKeyDQTBYHXXESEBBB-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.05
Rot. Bonds7

About 2-[1-(3-piperidin-4-yloxypropanoylamino)cyclopentyl]acetic acid

2-[1-(3-piperidin-4-yloxypropanoylamino)cyclopentyl]acetic acid (PubChem CID 64702108) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[1-(3-piperidin-4-yloxypropanoylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-piperidin-4-yloxypropanoylamino)cyclopentyl]acetic acid
PubChem CID64702108
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[1-(3-piperidin-4-yloxypropanoylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCOC2CCNCC2)CCCC1
InChIInChI=1S/C15H26N2O4/c18-13(5-10-21-12-3-8-16-9-4-12)17-15(11-14(19)20)6-1-2-7-15/h12,16H,1-11H2,(H,17,18)(H,19,20)
InChIKeyDQTBYHXXESEBBB-UHFFFAOYSA-N
XLogP1.05
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid
CID 79846171
2-[1-(3-methoxypropanoylamino)cyclohexyl]acetic acid
CID 64672330
2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid
CID 79845652
2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid
CID 64671798
N-phenyl-3-piperidin-4-yloxypropanamide
CID 63877329
3-piperidin-4-yloxy-N-[(1-propylcyclopropyl)methyl]propanamide
CID 103920742
2-[1-(3-methylsulfanylpropanoylamino)cyclohexyl]acetic acid
CID 64671361
3-methyl-3-(3-piperidin-4-yloxypropanoylamino)butanoic acid
CID 64702490
N-(2,2-dimethylcyclopropyl)-3-piperidin-4-yloxypropanamide
CID 63903556
N-(3-hydroxycyclohexyl)-3-piperidin-4-yloxypropanamide
CID 55251549
2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid
CID 79848549
2-[1-[(4-amino-4-methylpentanoyl)amino]cyclopentyl]acetic acid
CID 64702299

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-piperidin-4-yloxypropanoylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(3-piperidin-4-yloxypropanoylamino)cyclopentyl]acetic acid (CID 64702108) is 2-[1-(3-piperidin-4-yloxypropanoylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(3-piperidin-4-yloxypropanoylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(3-piperidin-4-yloxypropanoylamino)cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)CCOC2CCNCC2)CCCC1.
What is the InChIKey of 2-[1-(3-piperidin-4-yloxypropanoylamino)cyclopentyl]acetic acid?
The InChIKey is DQTBYHXXESEBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c18-13(5-10-21-12-3-8-16-9-4-12)17-15(11-14(19)20)6-1-2-7-15/h12,16H,1-11H2,(H,17,18)(H,19,20).
What are the key properties of 2-[1-(3-piperidin-4-yloxypropanoylamino)cyclopentyl]acetic acid?
2-[1-(3-piperidin-4-yloxypropanoylamino)cyclopentyl]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-piperidin-4-yloxypropanoylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64702108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).