[2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride

C20H28ClF2N3O3 — CID 119466370

IUPAC[2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C20H27F2N3O3.ClH/c21-20(22)28-17-9-2-1-8-16(17)19(27)24-10-5-6-14(13-24)18(26)25-11-4-3-7-15(25)12-23;/h1-2,8-9,14-15,20H,3-7,10-13,23H2;1H
InChIKeyNQEMFPJCMPEIDW-UHFFFAOYSA-N
MW431.91 g/mol
LogP2.90
Rot. Bonds5

About [2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride

[2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride (PubChem CID 119466370) has the molecular formula C20H28ClF2N3O3 and a molecular weight of 431.91 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride
PubChem CID119466370
Molecular FormulaC20H28ClF2N3O3
Molecular Weight431.91 g/mol
Exact Mass431.18
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C20H27F2N3O3.ClH/c21-20(22)28-17-9-2-1-8-16(17)19(27)24-10-5-6-14(13-24)18(26)25-11-4-3-7-15(25)12-23;/h1-2,8-9,14-15,20H,3-7,10-13,23H2;1H
InChIKeyNQEMFPJCMPEIDW-UHFFFAOYSA-N
XLogP2.90
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.91
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride with MolForge

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Related Compounds

[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119648790
[(3R)-3-aminopyrrolidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone
CID 119409468
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55638637
N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
CID 119405060
1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide
CID 46416186
benzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate
CID 55638063
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 46434757
N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119626021
N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119652684
1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 55608451
1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55637901
1-[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 119167880

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride (CID 119466370) is [2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride is Cl.NCC1CCCCN1C(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride?
The InChIKey is NQEMFPJCMPEIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O3.ClH/c21-20(22)28-17-9-2-1-8-16(17)19(27)24-10-5-6-14(13-24)18(26)25-11-4-3-7-15(25)12-23;/h1-2,8-9,14-15,20H,3-7,10-13,23H2;1H.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride?
[2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride has a molecular weight of 431.91 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride is sourced from PubChem (CID 119466370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).