2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride

C15H24ClN3O — CID 119922213

IUPAC2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride
SMILESCNCC1CCN(C(C)C(=O)Nc2ccccc2)C1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-12(18-9-8-13(11-18)10-16-2)15(19)17-14-6-4-3-5-7-14;/h3-7,12-13,16H,8-11H2,1-2H3,(H,17,19);1H
InChIKeyAEOBCVDXXGOHSZ-UHFFFAOYSA-N
MW297.83 g/mol
LogP1.98
Rot. Bonds5

About 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride

2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride (PubChem CID 119922213) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride
PubChem CID119922213
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride
SMILESCNCC1CCN(C(C)C(=O)Nc2ccccc2)C1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-12(18-9-8-13(11-18)10-16-2)15(19)17-14-6-4-3-5-7-14;/h3-7,12-13,16H,8-11H2,1-2H3,(H,17,19);1H
InChIKeyAEOBCVDXXGOHSZ-UHFFFAOYSA-N
XLogP1.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
CID 78962370
N-cyclopentyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide;hydrochloride
CID 119922095
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-phenylpropanamide;hydrochloride
CID 119926842
2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride
CID 119540343
(2R)-N-phenyl-2-(4-phenylpiperidin-1-yl)propanamide
CID 125483089
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide
CID 63267346
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-phenylpropanamide
CID 100844501
1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 119544632
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
N-cyclopropyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204430
1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane
CID 91616896

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride?
The IUPAC name of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride (CID 119922213) is 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride is CNCC1CCN(C(C)C(=O)Nc2ccccc2)C1.Cl.
What is the InChIKey of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride?
The InChIKey is AEOBCVDXXGOHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c1-12(18-9-8-13(11-18)10-16-2)15(19)17-14-6-4-3-5-7-14;/h3-7,12-13,16H,8-11H2,1-2H3,(H,17,19);1H.
What are the key properties of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride?
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119922213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).