[(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone

C16H24N2O2 — CID 119412519

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
SMILESCCCCCOc1ccc(C(=O)N2CC[C@@H](N)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-3-4-11-20-15-7-5-13(6-8-15)16(19)18-10-9-14(17)12-18/h5-8,14H,2-4,9-12,17H2,1H3/t14-/m1/s1
InChIKeyDZNLNNNGJCSVHF-CQSZACIVSA-N
MW276.38 g/mol
LogP2.43
Rot. Bonds6

About [(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone

[(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone (PubChem CID 119412519) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
PubChem CID119412519
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
SMILESCCCCCOc1ccc(C(=O)N2CC[C@@H](N)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-3-4-11-20-15-7-5-13(6-8-15)16(19)18-10-9-14(17)12-18/h5-8,14H,2-4,9-12,17H2,1H3/t14-/m1/s1
InChIKeyDZNLNNNGJCSVHF-CQSZACIVSA-N
XLogP2.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 92922661
[3-(aminomethyl)pyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119486348
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
(4-butoxyphenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63395660
(3-bromopyrrolidin-1-yl)-(4-butoxyphenyl)methanone
CID 80677906
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 120814614
(3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 110878335
[3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119492407
ethyl 1-(4-pentoxybenzoyl)piperidine-4-carboxylate
CID 17230839
1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide
CID 54794046
[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 81469149
(4-butoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543778

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone (CID 119412519) is [(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone is CCCCCOc1ccc(C(=O)N2CC[C@@H](N)C2)cc1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone?
The InChIKey is DZNLNNNGJCSVHF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-3-4-11-20-15-7-5-13(6-8-15)16(19)18-10-9-14(17)12-18/h5-8,14H,2-4,9-12,17H2,1H3/t14-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone has a molecular weight of 276.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone is sourced from PubChem (CID 119412519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).