2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

C19H28FN3O — CID 119926329

IUPAC2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CN1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H28FN3O/c1-22(13-16-4-2-3-5-18(16)20)19(24)14-23-10-8-17(9-11-23)21-12-15-6-7-15/h2-5,15,17,21H,6-14H2,1H3
InChIKeyJGIAACXQHMAPTL-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.25
Rot. Bonds7

About 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 119926329) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID119926329
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CN1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H28FN3O/c1-22(13-16-4-2-3-5-18(16)20)19(24)14-23-10-8-17(9-11-23)21-12-15-6-7-15/h2-5,15,17,21H,6-14H2,1H3
InChIKeyJGIAACXQHMAPTL-UHFFFAOYSA-N
XLogP2.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119917364
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 60505113
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 119927875
N-[(2-fluorophenyl)methyl]-2-(3-formylpiperidin-1-yl)-N-methylacetamide
CID 62654574
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 26570181
2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 43556426
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 60512038
N-cyclopropyl-2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-methylacetamide;hydrochloride
CID 119926792
2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 114395074
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512068
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide
CID 25461385
2-[4-(acetamidomethyl)piperidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 55739343

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (CID 119926329) is 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1F)C(=O)CN1CCC(NCC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is JGIAACXQHMAPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c1-22(13-16-4-2-3-5-18(16)20)19(24)14-23-10-8-17(9-11-23)21-12-15-6-7-15/h2-5,15,17,21H,6-14H2,1H3.
What are the key properties of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 333.45 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 119926329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).