3-amino-1-(1-phenylpiperidin-4-yl)pyrrolidine-3-carboxylic acid

C16H23N3O2 — CID 107321169

IUPAC3-amino-1-(1-phenylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C16H23N3O2/c17-16(15(20)21)8-11-19(12-16)14-6-9-18(10-7-14)13-4-2-1-3-5-13/h1-5,14H,6-12,17H2,(H,20,21)
InChIKeyRWSAXCPDOVHUQX-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.14
Rot. Bonds3

About 3-amino-1-(1-phenylpiperidin-4-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(1-phenylpiperidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 107321169) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-amino-1-(1-phenylpiperidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(1-phenylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID107321169
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-amino-1-(1-phenylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C16H23N3O2/c17-16(15(20)21)8-11-19(12-16)14-6-9-18(10-7-14)13-4-2-1-3-5-13/h1-5,14H,6-12,17H2,(H,20,21)
InChIKeyRWSAXCPDOVHUQX-UHFFFAOYSA-N
XLogP1.14
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyrrolidine-3-carboxylic acid
CID 107321063
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
3-amino-1-cycloheptylpiperidine-3-carboxylic acid
CID 117011831
2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid
CID 106821074
3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 117011902
methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride
CID 91798655
1-(1-phenylpiperidin-4-yl)piperazine
CID 2737157
(1R,5S)-3-[1-(4-chlorophenyl)piperidin-4-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135097648
3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid
CID 107321554
4-amino-1-(3-fluorophenyl)piperidine-4-carboxylic acid
CID 117011798
3-amino-1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid
CID 107320785
(4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone
CID 23130829

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-phenylpiperidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(1-phenylpiperidin-4-yl)pyrrolidine-3-carboxylic acid (CID 107321169) is 3-amino-1-(1-phenylpiperidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(1-phenylpiperidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(1-phenylpiperidin-4-yl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(C2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 3-amino-1-(1-phenylpiperidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is RWSAXCPDOVHUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-16(15(20)21)8-11-19(12-16)14-6-9-18(10-7-14)13-4-2-1-3-5-13/h1-5,14H,6-12,17H2,(H,20,21).
What are the key properties of 3-amino-1-(1-phenylpiperidin-4-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(1-phenylpiperidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-phenylpiperidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107321169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).