[3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone

C16H23N3O2 — CID 119486562

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
SMILESNCC1CCN(C(=O)c2ccccc2N2CCOCC2)C1
InChIInChI=1S/C16H23N3O2/c17-11-13-5-6-19(12-13)16(20)14-3-1-2-4-15(14)18-7-9-21-10-8-18/h1-4,13H,5-12,17H2
InChIKeyWHZJSPXUJGGFGO-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.94
Rot. Bonds3

About [3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone

[3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone (PubChem CID 119486562) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
PubChem CID119486562
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
SMILESNCC1CCN(C(=O)c2ccccc2N2CCOCC2)C1
InChIInChI=1S/C16H23N3O2/c17-11-13-5-6-19(12-13)16(20)14-3-1-2-4-15(14)18-7-9-21-10-8-18/h1-4,13H,5-12,17H2
InChIKeyWHZJSPXUJGGFGO-UHFFFAOYSA-N
XLogP0.94
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone
CID 70747258
[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 166621358
(3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148963
1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone
CID 119483313
[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 118778888
[3-(aminomethyl)pyrrolidin-1-yl]-(2-nitrophenyl)methanone
CID 55030749
2-morpholin-4-ylbenzohydrazide
CID 7148386
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 81264813
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 119483891
[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 86284534
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 125147330
[4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride
CID 166451635

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone (CID 119486562) is [3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone is NCC1CCN(C(=O)c2ccccc2N2CCOCC2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The InChIKey is WHZJSPXUJGGFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-11-13-5-6-19(12-13)16(20)14-3-1-2-4-15(14)18-7-9-21-10-8-18/h1-4,13H,5-12,17H2.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone has a molecular weight of 289.38 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 119486562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).