5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid

C16H28N2O2 — CID 83998065

IUPAC5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(NCC2CCCC2)CN(CC2CC2)C1
InChIInChI=1S/C16H28N2O2/c19-16(20)14-7-15(17-8-12-3-1-2-4-12)11-18(10-14)9-13-5-6-13/h12-15,17H,1-11H2,(H,19,20)
InChIKeySDPYQDZSRADAKW-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.95
Rot. Bonds6

About 5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid

5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid (PubChem CID 83998065) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid
PubChem CID83998065
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(NCC2CCCC2)CN(CC2CC2)C1
InChIInChI=1S/C16H28N2O2/c19-16(20)14-7-15(17-8-12-3-1-2-4-12)11-18(10-14)9-13-5-6-13/h12-15,17H,1-11H2,(H,19,20)
InChIKeySDPYQDZSRADAKW-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3Rs,5sr)-5-aminonipecotic acid
CID 12752561
3(s)-Aminopiperidine-5(r)-carboxylic acid
CID 129822283
1-Cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992445
1-Cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992460
1-(Cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992530
1-(1-Cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992547
1-(1-Cyclopropylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992559
1-(Cyclopentylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992590
1-(2-Aminoethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992719
1-Cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid
CID 83993139
1-Cyclopropyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid
CID 83993154
1-(Cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid
CID 83993224

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid (CID 83998065) is 5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid is O=C(O)C1CC(NCC2CCCC2)CN(CC2CC2)C1.
What is the InChIKey of 5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid?
The InChIKey is SDPYQDZSRADAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c19-16(20)14-7-15(17-8-12-3-1-2-4-12)11-18(10-14)9-13-5-6-13/h12-15,17H,1-11H2,(H,19,20).
What are the key properties of 5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid?
5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid has a molecular weight of 280.41 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 83998065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).