3-(aminomethyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methoxycyclobutane-1-carboxamide

C19H27F2N3O2 — CID 166276322

IUPAC3-(aminomethyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methoxycyclobutane-1-carboxamide
SMILESCOC1(CN)CC(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)C1
InChIInChI=1S/C19H27F2N3O2/c1-26-19(12-22)9-14(10-19)18(25)23-15-4-6-24(7-5-15)11-13-2-3-16(20)17(21)8-13/h2-3,8,14-15H,4-7,9-12,22H2,1H3,(H,23,25)
InChIKeyVQTUVXIIZSNRAT-UHFFFAOYSA-N
MW367.44 g/mol
LogP1.80
Rot. Bonds6

About 3-(aminomethyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methoxycyclobutane-1-carboxamide

3-(aminomethyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methoxycyclobutane-1-carboxamide (PubChem CID 166276322) has the molecular formula C19H27F2N3O2 and a molecular weight of 367.44 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methoxycyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methoxycyclobutane-1-carboxamide
PubChem CID166276322
Molecular FormulaC19H27F2N3O2
Molecular Weight367.44 g/mol
Exact Mass367.21
IUPAC Name3-(aminomethyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methoxycyclobutane-1-carboxamide
SMILESCOC1(CN)CC(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)C1
InChIInChI=1S/C19H27F2N3O2/c1-26-19(12-22)9-14(10-19)18(25)23-15-4-6-24(7-5-15)11-13-2-3-16(20)17(21)8-13/h2-3,8,14-15H,4-7,9-12,22H2,1H3,(H,23,25)
InChIKeyVQTUVXIIZSNRAT-UHFFFAOYSA-N
XLogP1.80
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 119857425
1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119857361
methyl 1-[(3,4-difluorophenyl)methyl]piperidine-4-carboxylate
CID 78912325
3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119857377
(1S,2R,3S,4R)-3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 118784005
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 55958260
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methoxyphenyl)urea
CID 87008877
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(1-hydroxypropan-2-yl)urea
CID 110901505
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide
CID 119946714
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669814
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 55837219
ethyl N-[(2R)-1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 51962732

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methoxycyclobutane-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methoxycyclobutane-1-carboxamide (CID 166276322) is 3-(aminomethyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methoxycyclobutane-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methoxycyclobutane-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methoxycyclobutane-1-carboxamide is COC1(CN)CC(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)C1.
What is the InChIKey of 3-(aminomethyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methoxycyclobutane-1-carboxamide?
The InChIKey is VQTUVXIIZSNRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O2/c1-26-19(12-22)9-14(10-19)18(25)23-15-4-6-24(7-5-15)11-13-2-3-16(20)17(21)8-13/h2-3,8,14-15H,4-7,9-12,22H2,1H3,(H,23,25).
What are the key properties of 3-(aminomethyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methoxycyclobutane-1-carboxamide?
3-(aminomethyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methoxycyclobutane-1-carboxamide has a molecular weight of 367.44 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methoxycyclobutane-1-carboxamide is sourced from PubChem (CID 166276322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).