cis-(1R,3S)-3-[(3-propoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

C15H26N2O4 — CID 106319520

IUPACcis-(1R,3S)-3-[(3-propoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCOC1CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C1
InChIInChI=1S/C15H26N2O4/c1-2-8-21-13-4-3-7-17(10-13)15(20)16-12-6-5-11(9-12)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)/t11-,12+,13?/m1/s1
InChIKeyRIFSEIISUPIABM-OJRHAOMCSA-N
MW298.38 g/mol
LogP1.84
Rot. Bonds5

About cis-(1R,3S)-3-[(3-propoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(3-propoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106319520) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3-propoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3-propoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106319520
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Namecis-(1R,3S)-3-[(3-propoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCOC1CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C1
InChIInChI=1S/C15H26N2O4/c1-2-8-21-13-4-3-7-17(10-13)15(20)16-12-6-5-11(9-12)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)/t11-,12+,13?/m1/s1
InChIKeyRIFSEIISUPIABM-OJRHAOMCSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535206
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033013
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 103197211
N-cyclohexyl-3-ethoxypiperidine-1-carboxamide
CID 115592808
3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 54989771
(2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 107839175
4-(4-propoxyazepane-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120673560
2-[(3-ethoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64817701
4-[[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024360
1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid
CID 122013071

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3-propoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3-propoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 106319520) is cis-(1R,3S)-3-[(3-propoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3-propoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3-propoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is CCCOC1CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C1.
What is the InChIKey of cis-(1R,3S)-3-[(3-propoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is RIFSEIISUPIABM-OJRHAOMCSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-8-21-13-4-3-7-17(10-13)15(20)16-12-6-5-11(9-12)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)/t11-,12+,13?/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3-propoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3-propoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3-propoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).