1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid

C14H24N2O3 — CID 115433603

IUPAC1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1CCCNC1)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C14H24N2O3/c17-12(8-11-4-3-7-15-9-11)16-10-14(13(18)19)5-1-2-6-14/h11,15H,1-10H2,(H,16,17)(H,18,19)
InChIKeyXOFGUCDKIIXTPG-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.14
Rot. Bonds5

About 1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433603) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433603
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1CCCNC1)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C14H24N2O3/c17-12(8-11-4-3-7-15-9-11)16-10-14(13(18)19)5-1-2-6-14/h11,15H,1-10H2,(H,16,17)(H,18,19)
InChIKeyXOFGUCDKIIXTPG-UHFFFAOYSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2-pyrrolidin-3-ylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450787
1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 113311227
N-(2-hydroxyethyl)-2-piperidin-3-ylacetamide
CID 22929447
2-piperidin-3-yl-N-prop-2-enylacetamide
CID 62676827
2-cyclopropyl-N-(2-piperidin-3-ylethyl)acetamide
CID 63628201
1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81361691
1-[[(2-piperidin-4-yloxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436411
1-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 103162109
N-(2-hydroxypropyl)-2-piperidin-3-ylacetamide
CID 62674871
4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115439966
4-methyl-1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115442616
1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246539

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 115433603) is 1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid is O=C(CC1CCCNC1)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is XOFGUCDKIIXTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-12(8-11-4-3-7-15-9-11)16-10-14(13(18)19)5-1-2-6-14/h11,15H,1-10H2,(H,16,17)(H,18,19).
What are the key properties of 1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).